N-(3-chloro-4-methoxyphenyl)-4-[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide
N-(3-chloro-4-methoxyphenyl)-4-[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T991-1692 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 420.94 |
| Molecular Formula: | C21 H29 Cl N4 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(N1CCCN(CC1)C1CCN(CC2CC2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5373 |
| logD: | 1.1876 |
| logSw: | -3.4058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.543 |
| InChI Key: | SMQXQLQUDOYQTM-SFHVURJKSA-N |