methyl 4-[(2-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
methyl 4-[(2-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | F793-1066 |
| Compound Name: | methyl 4-[(2-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 485.95 |
| Molecular Formula: | C22 H20 Cl N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(N1CCCC1c1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0009 |
| logD: | 3.9976 |
| logSw: | -4.3956 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.265 |
| InChI Key: | MQKKQLJKBMCHAW-KRWDZBQOSA-N |