2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2432-4475 |
| Compound Name: | 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 541.55 |
| Molecular Formula: | C27 H22 F3 N3 O4 S |
| Smiles: | COc1cccc2C=C(/C(=N/c3c(C(N)=O)c4CCCCc4s3)Oc12)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6092 |
| logD: | 4.5873 |
| logSw: | -4.7116 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.125 |
| InChI Key: | LCKWSILOUBOFHL-UHFFFAOYSA-N |