1-benzyl-3-[4-(3-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-benzyl-3-[4-(3-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-benzyl-3-[4-(3-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0728 |
| Compound Name: | 1-benzyl-3-[4-(3-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C23 H29 N3 O4 S |
| Smiles: | COc1cccc(c1)S(N1CCCN(CC1)C1CCN(Cc2ccccc2)C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3277 |
| logD: | 2.3275 |
| logSw: | -2.8153 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.175 |
| InChI Key: | IQNLTMMZIUEWQB-QFIPXVFZSA-N |