methyl 2-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4-chlorobenzoate
Chemical Structure Depiction of
methyl 2-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4-chlorobenzoate
methyl 2-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4-chlorobenzoate
Compound characteristics
| Compound ID: | E002-1520 |
| Compound Name: | methyl 2-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4-chlorobenzoate |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C19 H18 Cl N5 O3 S |
| Smiles: | CN(Cc1ccccc1)c1nnc(NC(Nc2cc(ccc2C(=O)OC)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.67 |
| logD: | 4.5674 |
| logSw: | -4.872 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.332 |
| InChI Key: | KJBSOKGZKZVRBK-UHFFFAOYSA-N |