N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1797 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C21 H18 N2 O3 S |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O)c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8198 |
| logD: | 2.6004 |
| logSw: | -4.6403 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.604 |
| InChI Key: | KWUMTPWDMGQFKL-UHFFFAOYSA-N |