Name: Name:Methyl 2-((5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazol-3-yl)thio)acetate
Brand: Angene
SKU: AG00H2R9
Rating: 90 (10 reviews)

Methyl 2-((5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazol-3-yl)thio)acetate

CAS No.:

878671-98-8

Catalog Number:

AG00H2R9

Molecular Formula:

C18H18N4O2S

Molecular Weight:

354.4261

Catalog Number:

AG00H2R9

Chemical Name:

Methyl 2-((5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazol-3-yl)thio)acetate

CAS Number:

878671-98-8

Molecular Formula:

C18H18N4O2S

Molecular Weight:

354.4261

MDL Number:

MFCD22580360

IUPAC Name:

methyl 2-[[5-amino-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate

InChI:

InChI=1S/C18H18N4O2S/c1-24-16(23)10-25-18-21-20-17(19)22(18)15-9-8-12(11-6-7-11)13-4-2-3-5-14(13)15/h2-5,8-9,11H,6-7,10H2,1H3,(H2,19,20)

InChI Key:

CNGKUBCPRFRNDC-UHFFFAOYSA-N

SMILES:

COC(=O)CSc1n[nH]c(=N)n1c1ccc(c2c1cccc2)C1CC1

Complexity:

490

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

354.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

354.428g/mol

Monoisotopic Mass:

354.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7