3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1488 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Smiles: | C1CN(CCN(C1)C(c1ccc2c(c1)OCO2)=O)C1CCN(CC2CC2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5047 |
| logD: | 1.4029 |
| logSw: | -1.8717 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.208 |
| InChI Key: | CJQGXTQYWXTIRE-KRWDZBQOSA-N |