3-{4-[(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(2-methoxyethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-{4-[(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(2-methoxyethyl)pyrrolidin-2-one
3-{4-[(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(2-methoxyethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1940 |
| Compound Name: | 3-{4-[(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(2-methoxyethyl)pyrrolidin-2-one |
| Molecular Weight: | 423.94 |
| Molecular Formula: | C21 H30 Cl N3 O4 |
| Smiles: | COCCN1CCC(C1=O)N1CCCN(CC1)C(Cc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3707 |
| logD: | 1.3295 |
| logSw: | -2.5668 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.264 |
| InChI Key: | QDVPCUWHFAOOHQ-SFHVURJKSA-N |