5-[(4-chlorophenoxy)methyl]-N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorophenoxy)methyl]-N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(4-chlorophenoxy)methyl]-N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0073 |
| Compound Name: | 5-[(4-chlorophenoxy)methyl]-N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 497.01 |
| Molecular Formula: | C25 H25 Cl N4 O3 S |
| Smiles: | C1CCC(CCNC(c2cccc(c2)NC(c2nnc(COc3ccc(cc3)[Cl])s2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.976 |
| logD: | 4.9759 |
| logSw: | -5.2151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.004 |
| InChI Key: | CTWUPESHYJNDDP-UHFFFAOYSA-N |