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 | 
 
				 
				