methyl 3-[(2-{5-[(4-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(2-{5-[(4-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
methyl 3-[(2-{5-[(4-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]benzoate
Compound characteristics
Compound ID: | F793-0225 |
Compound Name: | methyl 3-[(2-{5-[(4-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(c1cccc(c1)NC(N1CCCC1c1nnc(C(Nc2ccc(cc2)[Cl])=O)s1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0226 |
logD: | 4.0199 |
logSw: | -4.4772 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 93.265 |
InChI Key: | CTCWUVCRFNNMOA-KRWDZBQOSA-N |