ethyl 2-[3-(phenylmethanesulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(phenylmethanesulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[3-(phenylmethanesulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y031-1266 |
| Compound Name: | ethyl 2-[3-(phenylmethanesulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C21 H25 N O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCS(Cc1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9441 |
| logD: | 0.0011 |
| logSw: | -3.4702 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.885 |
| InChI Key: | JVJSVONCMLORRZ-UHFFFAOYSA-N |