ethyl 4-({cyclopentyl[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({cyclopentyl[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({cyclopentyl[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | K788-5158 |
| Compound Name: | ethyl 4-({cyclopentyl[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 465.66 |
| Molecular Formula: | C27 H35 N3 O2 S |
| Smiles: | CCN1CCCc2cc(CN(C3CCCC3)C(Nc3ccc(cc3)C(=O)OCC)=S)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.0775 |
| logD: | 5.5985 |
| logSw: | -5.4726 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.351 |
| InChI Key: | VVXFBBJPNUCMEE-UHFFFAOYSA-N |