7-bromo-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-bromo-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide
7-bromo-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D538-0063 |
| Compound Name: | 7-bromo-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 424.29 |
| Molecular Formula: | C15 H10 Br N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2ccc(cc2O1)[Br])=O)=O)c1nnc(SCC=C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7252 |
| logD: | 4.6335 |
| logSw: | -4.7764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | IYLIWNJFSHHDPS-UHFFFAOYSA-N |