methyl 3-({5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-({5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate
methyl 3-({5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-2470 |
| Compound Name: | methyl 3-({5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 432.84 |
| Molecular Formula: | C18 H13 Cl N4 O5 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4475 |
| logD: | 2.8723 |
| logSw: | -4.7249 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.654 |
| InChI Key: | LZVNOZUJBDYJAI-UHFFFAOYSA-N |