methyl 4-chloro-2-({5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
methyl 4-chloro-2-({5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-1837 |
| Compound Name: | methyl 4-chloro-2-({5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate |
| Molecular Weight: | 423.92 |
| Molecular Formula: | C18 H22 Cl N5 O3 S |
| Smiles: | CN(C1CCCCC1)c1nnc(NC(Nc2cc(ccc2C(=O)OC)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6698 |
| logD: | 4.5672 |
| logSw: | -4.789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.384 |
| InChI Key: | OWBOEOLGVSSVFY-UHFFFAOYSA-N |