N-(3-chlorophenyl)-4-[4-(3-methylbutanamido)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-[4-(3-methylbutanamido)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide
N-(3-chlorophenyl)-4-[4-(3-methylbutanamido)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V014-7725 |
| Compound Name: | N-(3-chlorophenyl)-4-[4-(3-methylbutanamido)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 512.05 |
| Molecular Formula: | C27 H34 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)C(N1CCCC1)=O)N1CCN(CC1)C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7955 |
| logD: | 4.7953 |
| logSw: | -4.7761 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.831 |
| InChI Key: | IAOYREDPUDSIDZ-UHFFFAOYSA-N |