6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1236 |
| Compound Name: | 6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 384.84 |
| Molecular Formula: | C19 H13 Cl N2 O3 S |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5155 |
| logD: | 1.5784 |
| logSw: | -4.91 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.919 |
| InChI Key: | BMPDRQYHRHKQHE-UHFFFAOYSA-N |