N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | D136-0112 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C20 H17 N3 O3 S2 |
| Smiles: | CCSc1nnc(NC(c2ccc3C(=O)OC(Cc3c2)c2ccccc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0183 |
| logD: | 4.7328 |
| logSw: | -4.6747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.788 |
| InChI Key: | FUVBDFBCPHFELZ-MRXNPFEDSA-N |