Name: Name:(2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
Brand: Angene
SKU: AG00C6CK
Rating: 90 (10 reviews)

(2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester

CAS No.:

401566-80-1

Catalog Number:

AG00C6CK

Molecular Formula:

C27H38N6O3S

Molecular Weight:

526.6940

Catalog Number:

AG00C6CK

Chemical Name:

(2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester

CAS Number:

401566-80-1

Molecular Formula:

C27H38N6O3S

Molecular Weight:

526.6940

MDL Number:

MFCD22665916

IUPAC Name:

tert-butyl (2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C27H38N6O3S/c1-20-16-24(33(28-20)21-8-6-5-7-9-21)30-12-10-29(11-13-30)22-17-23(25(34)31-14-15-37-19-31)32(18-22)26(35)36-27(2,3)4/h5-9,16,22-23H,10-15,17-19H2,1-4H3/t22-,23-/m0/s1

InChI Key:

PMBLBXYTGVIKEP-GOTSBHOMSA-N

SMILES:

Cc1cc(n(n1)c1ccccc1)N1CCN(CC1)[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)N1CCSC1

Complexity:

811

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

526.273g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

526.7g/mol

Monoisotopic Mass:

526.273g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7