7,8-dimethyl-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
7,8-dimethyl-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide
7,8-dimethyl-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: | D103-1871 |
| Compound Name: | 7,8-dimethyl-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C17 H15 N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O)c1nnc(SCC=C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8511 |
| logD: | 4.8321 |
| logSw: | -4.5478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.738 |
| InChI Key: | VZTIYQJEIQGTDE-UHFFFAOYSA-N |