N-(adamantan-1-yl)-4-{[(3-chlorophenyl)methyl][N-(2-methoxyethyl)-N-(propane-1-sulfonyl)glycyl]amino}piperidine-1-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-4-{[(3-chlorophenyl)methyl][N-(2-methoxyethyl)-N-(propane-1-sulfonyl)glycyl]amino}piperidine-1-carboxamide
N-(adamantan-1-yl)-4-{[(3-chlorophenyl)methyl][N-(2-methoxyethyl)-N-(propane-1-sulfonyl)glycyl]amino}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | V004-8425 |
| Compound Name: | N-(adamantan-1-yl)-4-{[(3-chlorophenyl)methyl][N-(2-methoxyethyl)-N-(propane-1-sulfonyl)glycyl]amino}piperidine-1-carboxamide |
| Molecular Weight: | 623.26 |
| Molecular Formula: | C31 H47 Cl N4 O5 S |
| Smiles: | CCCS(N(CCOC)CC(N(Cc1cccc(c1)[Cl])C1CCN(CC1)C(NC12CC3CC(CC(C3)C2)C1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6535 |
| logD: | 4.6529 |
| logSw: | -4.7579 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.324 |
| InChI Key: | VFDDBSOCWSJXLE-UHFFFAOYSA-N |