6-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
6-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2300-3220 |
| Compound Name: | 6-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 534.43 |
| Molecular Formula: | C26 H20 Br N3 O3 S |
| Smiles: | COc1ccc(cc1)NC(C1=Cc2cc(ccc2OC/1=N/c1c(C#N)c2CCCCc2s1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0786 |
| logD: | 6.0784 |
| logSw: | -5.4914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.351 |
| InChI Key: | DFLCPSCWANGWHP-UHFFFAOYSA-N |