3-[4-(2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
3-[4-(2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-2181 |
| Compound Name: | 3-[4-(2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Smiles: | CCc1ccccc1S(N1CCCN(CC1)C1CCN(CCOC)C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5665 |
| logD: | 1.566 |
| logSw: | -2.2053 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.224 |
| InChI Key: | NEKSPVRPOXDPNM-SFHVURJKSA-N |