N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1237 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 402.85 |
| Molecular Formula: | C19 H15 Cl N2 O4 S |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1c(C(N)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8326 |
| logD: | 0.9312 |
| logSw: | -3.9719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.922 |
| InChI Key: | PRLUXDYEAKHMMS-UHFFFAOYSA-N |