methyl 4-({5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-({5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
methyl 4-({5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-1823 |
| Compound Name: | methyl 4-({5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C18 H23 N5 O3 S |
| Smiles: | CN(C1CCCCC1)c1nnc(NC(Nc2ccc(cc2)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5403 |
| logD: | 4.5402 |
| logSw: | -4.1859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.081 |
| InChI Key: | NAWCQQHBAJQJMA-UHFFFAOYSA-N |