6,7-dimethyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6,7-dimethyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
6,7-dimethyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1946 |
| Compound Name: | 6,7-dimethyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | [H]N(C(C1=CC(c2cc(C)c(C)cc2O1)=O)=O)c1c(C(NCc2cccnc2)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6325 |
| logD: | 2.4532 |
| logSw: | -4.3787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.794 |
| InChI Key: | KSPOPQADHSUOEF-UHFFFAOYSA-N |