Name: Name:8-BENZYL-3-EXO-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE
Brand: Angene
SKU: AG00BXYE
Rating: 90 (10 reviews)

8-BENZYL-3-EXO-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE

CAS No.:

423165-13-3

Catalog Number:

AG00BXYE

Molecular Formula:

C20H28N4

Molecular Weight:

324.4631

Catalog Number:

AG00BXYE

Chemical Name:

8-BENZYL-3-EXO-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE

CAS Number:

423165-13-3

Molecular Formula:

C20H28N4

Molecular Weight:

324.4631

MDL Number:

MFCD12911892

IUPAC Name:

(1R,5S)-8-benzyl-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

InChI:

InChI=1S/C20H28N4/c1-14(2)20-22-21-15(3)24(20)19-11-17-9-10-18(12-19)23(17)13-16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3/t17-,18+,19?

InChI Key:

YHGHRIAZABSSGB-DFNIBXOVSA-N

SMILES:

Cc1nnc(n1[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)C

EC Number:

447-620-1

Complexity:

406

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

324.231g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

324.472g/mol

Monoisotopic Mass:

324.231g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6