N-(4-chloro-2-methylphenyl)-4-[1-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-4-[1-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide
N-(4-chloro-2-methylphenyl)-4-[1-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T991-2117 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-4-[1-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 408.93 |
| Molecular Formula: | C20 H29 Cl N4 O3 |
| Smiles: | Cc1cc(ccc1NC(N1CCCN(CC1)C1CCN(CCOC)C1=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3095 |
| logD: | 2.0003 |
| logSw: | -3.3003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.284 |
| InChI Key: | HOOSXJITNZVKAK-SFHVURJKSA-N |