1-(cyclopropylmethyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-(cyclopropylmethyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-(cyclopropylmethyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1716 |
| Compound Name: | 1-(cyclopropylmethyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | C1CN(CCN(C1)S(c1ccc2c(c1)OCCO2)(=O)=O)C1CCN(CC2CC2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9386 |
| logD: | 0.9288 |
| logSw: | -2.336 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.978 |
| InChI Key: | SCKZITRVGTXFHV-SFHVURJKSA-N |