3-[4-(3-chloro-4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(3-chloro-4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
3-[4-(3-chloro-4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1763 |
| Compound Name: | 3-[4-(3-chloro-4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one |
| Molecular Weight: | 441.98 |
| Molecular Formula: | C20 H28 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1[Cl])S(N1CCCN(CC1)C1CCN(CC2CC2)C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1711 |
| logD: | 2.1614 |
| logSw: | -2.9476 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.785 |
| InChI Key: | JJKQWTSQQTVDRT-SFHVURJKSA-N |