4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 4-chlorobenzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | D336-6509 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 4-chlorobenzoate |
| Molecular Weight: | 447.9 |
| Molecular Formula: | C20 H18 Cl N3 O5 S |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)OC)OC(c2ccc(cc2)[Cl])=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.451 |
| logD: | 3.4046 |
| logSw: | -4.4039 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.238 |
| InChI Key: | ALRGFKZVXNYJSK-SFHVURJKSA-N |