ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]thiophene-3-carboxylate
ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3176-5180 |
| Compound Name: | ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]thiophene-3-carboxylate |
| Molecular Weight: | 569.04 |
| Molecular Formula: | C27 H28 Cl F3 N2 O4 S |
| Smiles: | CCOC(c1c(C)c(C(Nc2cc(ccc2[Cl])C(F)(F)F)=O)sc1NC(C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3592 |
| logD: | 3.3755 |
| logSw: | -6.6899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.304 |
| InChI Key: | RWMGNDCKLOQZRW-UHFFFAOYSA-N |