N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-imino-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-imino-2H-1-benzopyran-3-carboxamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-imino-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y203-0029 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-imino-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C23 H23 N3 O2 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(C3=Cc4ccccc4OC3=N)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9516 |
| logD: | 1.7577 |
| logSw: | -4.7415 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.339 |
| InChI Key: | MESMZGWWWREMEL-CQSZACIVSA-N |