2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2300-3221 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C26 H21 N3 O4 S |
| Smiles: | COc1ccc(cc1)NC(C1=Cc2ccc(cc2OC/1=N/c1c(C#N)c2CCCCc2s1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9077 |
| logD: | 4.8976 |
| logSw: | -4.6781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.968 |
| InChI Key: | PMNGIRKBOAUPDT-UHFFFAOYSA-N |