N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-2352 |
| Compound Name: | N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C16 H15 N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2ccccc2O1)=O)=O)c1nnc(SCCCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5363 |
| logD: | 4.3822 |
| logSw: | -4.4927 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | NDVSGHSGGLCFAM-UHFFFAOYSA-N |