1-(cyclopropylmethyl)-3-[4-(2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-(cyclopropylmethyl)-3-[4-(2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-(cyclopropylmethyl)-3-[4-(2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1776 |
| Compound Name: | 1-(cyclopropylmethyl)-3-[4-(2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C21 H31 N3 O3 S |
| Smiles: | CCc1ccccc1S(N1CCCN(CC1)C1CCN(CC2CC2)C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5404 |
| logD: | 2.5307 |
| logSw: | -2.484 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.155 |
| InChI Key: | HSBOKXLDAZEREK-IBGZPJMESA-N |