methyl 4-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamamido)benzoate
methyl 4-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamamido)benzoate
Compound characteristics
Compound ID: | L062-0524 |
Compound Name: | methyl 4-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamamido)benzoate |
Molecular Weight: | 411.44 |
Molecular Formula: | C19 H17 N5 O4 S |
Smiles: | COC(c1ccc(cc1)NC(NCc1nnc(C(Nc2ccccc2)=O)s1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7552 |
logD: | 2.7551 |
logSw: | -3.4206 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 102.128 |
InChI Key: | LCXOYWAKLLZHAU-UHFFFAOYSA-N |