AC1MPEPB
methyl 2-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-4,5-dimethoxybenzoate
Also Known As: AK-968/40726833|METHYL 2-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4,5-DIMETHOXYBENZOATE|methyl 2-({[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)-4,5-dimethoxybenzoate|methyl 2-(3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamido)-4,5-dimethoxybenzoate|methyl 2-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-4,5-dimethoxybenzoate
| Molecular Formula | C23H27ClN4O5 |
|---|---|
| Molecular Weight | 474.167 g/mol |
| LogP | 3.6695 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.167 |
| Monoisotopic Mass | 474.167 |
| Heavy Atoms | 33 |
| Complexity | 1102.2665 |
Chemical Identifiers
| CAS Number | 445015-75-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)OC |
Product Overview
AC1MPEPB (CAS 445015-75-8), with molecular formula C23H27ClN4O5 and molecular weight 474.167 g/mol. IUPAC: methyl 2-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-4,5-dimethoxybenzoate.
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