N-[(oxolan-2-yl)methyl]-2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-[(oxolan-2-yl)methyl]-2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y070-1394 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C26 H32 N2 O3 S |
| Smiles: | CC(C)c1ccc(/C=C/C(Nc2c(C(NCC3CCCO3)=O)c3CCCCc3s2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2543 |
| logD: | 4.5241 |
| logSw: | -5.1523 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.899 |
| InChI Key: | TWVHVQULIGBXJJ-RDPWEWGOSA-N |