3-[4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
3-[4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1468 |
| Compound Name: | 3-[4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one |
| Molecular Weight: | 405.92 |
| Molecular Formula: | C21 H28 Cl N3 O3 |
| Smiles: | COc1cc(ccc1C(N1CCCN(CC1)C1CCN(CC2CC2)C1=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6616 |
| logD: | 2.5598 |
| logSw: | -3.36 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.722 |
| InChI Key: | FDODFCGXKIYLIF-SFHVURJKSA-N |