4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl 3-methylbenzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl 3-methylbenzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | D336-6950 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl 3-methylbenzoate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | CCOc1cc(ccc1OC(c1cccc(C)c1)=O)C1N(C(C)=O)N=C(NC(C)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2528 |
| logD: | 3.2063 |
| logSw: | -3.4406 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.817 |
| InChI Key: | FKNPOAYXXIKCIE-FQEVSTJZSA-N |