6-ethyl-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
6-ethyl-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide
6-ethyl-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: | D103-1535 |
| Compound Name: | 6-ethyl-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(c2cc(CC)ccc2O1)=O)=O)c1nnc(SCC=C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8145 |
| logD: | 4.7227 |
| logSw: | -4.6079 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | DDFONZNAWBFJDP-UHFFFAOYSA-N |