6-bromo-2-[(2,5-dimethylphenyl)imino]-N-(1,3-thiazol-2-yl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-2-[(2,5-dimethylphenyl)imino]-N-(1,3-thiazol-2-yl)-2H-1-benzopyran-3-carboxamide
6-bromo-2-[(2,5-dimethylphenyl)imino]-N-(1,3-thiazol-2-yl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K218-1395 |
| Compound Name: | 6-bromo-2-[(2,5-dimethylphenyl)imino]-N-(1,3-thiazol-2-yl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 454.34 |
| Molecular Formula: | C21 H16 Br N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)/N=C1/C(=Cc2cc(ccc2O1)[Br])C(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4242 |
| logD: | 5.3999 |
| logSw: | -5.4584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.817 |
| InChI Key: | VROJDPNJWAGJJW-UHFFFAOYSA-N |