methyl 4-({5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-({5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
methyl 4-({5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L337-0032 |
| Compound Name: | methyl 4-({5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(Nc1nnc(CC(NCc2ccccc2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2956 |
| logD: | 3.2932 |
| logSw: | -3.6359 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.955 |
| InChI Key: | UHQSXHOQGAGJGZ-UHFFFAOYSA-N |