6,8-dimethyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6,8-dimethyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1-benzopyran-2-carboxamide
6,8-dimethyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1719 |
| Compound Name: | 6,8-dimethyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | [H]N(C(C1=CC(c2cc(C)cc(C)c2O1)=O)=O)c1nnc(CCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3005 |
| logD: | 3.8476 |
| logSw: | -4.2973 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.872 |
| InChI Key: | OTPJYLYODSOSPH-UHFFFAOYSA-N |