3-{4-[(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-{4-[(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)pyrrolidin-2-one
3-{4-[(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1529 |
| Compound Name: | 3-{4-[(3-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)cc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3446 |
| logD: | 1.8603 |
| logSw: | -3.0239 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.195 |
| InChI Key: | UECBODWISMQVFF-IBGZPJMESA-N |