2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-N-(3-methylphenyl)-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-(3-methylphenyl)-2H-1-benzopyran-3-carboxamide
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-N-(3-methylphenyl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2265-3147 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-N-(3-methylphenyl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C26 H21 N3 O3 S |
| Smiles: | Cc1cccc(c1)NC(C1=Cc2ccc(cc2OC/1=N/c1c(C#N)c2CCCCc2s1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2852 |
| logD: | 5.2752 |
| logSw: | -5.0683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.424 |
| InChI Key: | NFYCWQHGGDGCQF-UHFFFAOYSA-N |