2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-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]-8-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2300-3225 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C27 H23 N3 O4 S |
| Smiles: | COc1ccc(cc1)NC(C1=Cc2cccc(c2OC/1=N/c1c(C#N)c2CCCCc2s1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2312 |
| logD: | 5.231 |
| logSw: | -5.098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.666 |
| InChI Key: | QNACWHZAGODYQI-UHFFFAOYSA-N |