5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-one
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-one
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | G631-0551 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-one |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C24 H27 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(N1C(CCC1=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9278 |
| logD: | 1.6515 |
| logSw: | -2.7764 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.519 |
| InChI Key: | HCMGGOHMNARPOT-FQEVSTJZSA-N |