methyl 3-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamamido)benzoate
methyl 3-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L062-0545 |
| Compound Name: | methyl 3-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 411.44 |
| Molecular Formula: | C19 H17 N5 O4 S |
| Smiles: | COC(c1cccc(c1)NC(NCc1nnc(C(Nc2ccccc2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9358 |
| logD: | 2.9357 |
| logSw: | -3.6086 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.128 |
| InChI Key: | NZIXNTOFGIEACD-UHFFFAOYSA-N |