3-{4-[(2-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-{4-[(2-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)pyrrolidin-2-one
3-{4-[(2-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1528 |
| Compound Name: | 3-{4-[(2-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)pyrrolidin-2-one |
| Molecular Weight: | 419.95 |
| Molecular Formula: | C22 H30 Cl N3 O3 |
| Smiles: | COc1ccc(CC(N2CCCN(CC2)C2CCN(CC3CC3)C2=O)=O)c(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8539 |
| logD: | 2.3696 |
| logSw: | -3.3874 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.109 |
| InChI Key: | NBMKWZZOFKYZAQ-FQEVSTJZSA-N |