N-(4-chloro-2-fluorophenyl)-4-[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide
N-(4-chloro-2-fluorophenyl)-4-[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T991-1702 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 408.9 |
| Molecular Formula: | C20 H26 Cl F N4 O2 |
| Smiles: | C1CN(CCN(C1)C(Nc1ccc(cc1F)[Cl])=O)C1CCN(CC2CC2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0446 |
| logD: | 1.6949 |
| logSw: | -3.6199 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.215 |
| InChI Key: | GZRPMAUNJMVSEE-SFHVURJKSA-N |