N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | D136-0106 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C20 H17 N3 O3 S |
| Smiles: | CCc1nnc(NC(c2ccc3C(=O)OC(Cc3c2)c2ccccc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2666 |
| logD: | 2.9234 |
| logSw: | -4.2472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.923 |
| InChI Key: | IHTXPCKREXEMBV-MRXNPFEDSA-N |