methyl 2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0797 |
| Compound Name: | methyl 2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C22 H25 N O3 S |
| Smiles: | CC(C)c1ccc(/C=C/C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.88 |
| logD: | 3.7036 |
| logSw: | -5.6218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.005 |
| InChI Key: | VISIDOUTYOQOKW-UHFFFAOYSA-N |