6-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1272 |
| Compound Name: | 6-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 363.82 |
| Molecular Formula: | C16 H14 Cl N3 O3 S |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1nnc(CC(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3991 |
| logD: | 3.3724 |
| logSw: | -4.6454 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.188 |
| InChI Key: | HMIMISJWNLQWDY-UHFFFAOYSA-N |