AC1NKBBN
2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Also Known As: 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methylphenyl)acetamide|2-(4-amino-5-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol-3-ylt hio))-N-(3-chloro-4-methylphenyl)acetamide|2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide|2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
| Molecular Formula | C17H18ClN7OS |
|---|---|
| Molecular Weight | 403.0982 g/mol |
| LogP | 2.56332 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0982 |
| Monoisotopic Mass | 403.0982 |
| Heavy Atoms | 27 |
| Complexity | 1012.87823 |
Chemical Identifiers
| CAS Number | 902017-97-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4)Cl |
Product Overview
AC1NKBBN (CAS 902017-97-4), with molecular formula C17H18ClN7OS and molecular weight 403.0982 g/mol. IUPAC: 2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide.