N-butyl-4-{[N-(4-chlorobenzene-1-sulfonyl)-N-(2-methylpropyl)glycyl][(4-fluorophenyl)methyl]amino}piperidine-1-carboxamide
Chemical Structure Depiction of
N-butyl-4-{[N-(4-chlorobenzene-1-sulfonyl)-N-(2-methylpropyl)glycyl][(4-fluorophenyl)methyl]amino}piperidine-1-carboxamide
N-butyl-4-{[N-(4-chlorobenzene-1-sulfonyl)-N-(2-methylpropyl)glycyl][(4-fluorophenyl)methyl]amino}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | V010-2512 |
| Compound Name: | N-butyl-4-{[N-(4-chlorobenzene-1-sulfonyl)-N-(2-methylpropyl)glycyl][(4-fluorophenyl)methyl]amino}piperidine-1-carboxamide |
| Molecular Weight: | 595.18 |
| Molecular Formula: | C29 H40 Cl F N4 O4 S |
| Smiles: | CCCCNC(N1CCC(CC1)N(Cc1ccc(cc1)F)C(CN(CC(C)C)S(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8358 |
| logD: | 5.8358 |
| logSw: | -5.8851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.254 |
| InChI Key: | OWBCQNXVQRJZFF-UHFFFAOYSA-N |