N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D001-0049 |
| Compound Name: | N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 457.34 |
| Molecular Formula: | C21 H17 Br N2 O3 S |
| Smiles: | CC1(Cc2ccccc2C(=O)O1)C(Nc1ncc(Cc2ccc(cc2)[Br])s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6217 |
| logD: | 5.6105 |
| logSw: | -5.3387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.748 |
| InChI Key: | UEUYITMCLOHUQI-NRFANRHFSA-N |