methyl 4-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate
methyl 4-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | Y202-7178 |
| Compound Name: | methyl 4-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 338.42 |
| Molecular Formula: | C16 H22 N2 O4 S |
| Smiles: | CCC1CCc2c(C(N)=O)c(NC(CCC(=O)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2771 |
| logD: | 0.785 |
| logSw: | -1.8332 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.741 |
| InChI Key: | ZIIABIJZNMGLKO-SECBINFHSA-N |