N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 6049-1452 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C20 H16 N2 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(C3=Cc4ccccc4C(=O)O3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1125 |
| logD: | 1.1754 |
| logSw: | -4.4578 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.508 |
| InChI Key: | LUQXQUMFLPORGD-LLVKDONJSA-N |