1-(2-methoxyethyl)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-(2-methoxyethyl)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-(2-methoxyethyl)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1978 |
| Compound Name: | 1-(2-methoxyethyl)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C21 H31 N3 O3 S |
| Smiles: | COCCN1CCC(C1=O)N1CCCN(CC1)C(c1cc2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0433 |
| logD: | 2.032 |
| logSw: | -2.2479 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.1 |
| InChI Key: | LNAZXQSEKCYUFB-KRWDZBQOSA-N |