N-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-N'-(3-chloro-4-methylphenyl)-N-cyclopentylthiourea
Chemical Structure Depiction of
N-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-N'-(3-chloro-4-methylphenyl)-N-cyclopentylthiourea
N-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-N'-(3-chloro-4-methylphenyl)-N-cyclopentylthiourea
Compound characteristics
| Compound ID: | K788-5426 |
| Compound Name: | N-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-N'-(3-chloro-4-methylphenyl)-N-cyclopentylthiourea |
| Molecular Weight: | 470.12 |
| Molecular Formula: | C27 H36 Cl N3 S |
| Smiles: | CCCCN1CCCc2cc(CN(C3CCCC3)C(Nc3ccc(C)c(c3)[Cl])=S)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 8.0367 |
| logD: | 7.5625 |
| logSw: | -6.7517 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.8513 |
| InChI Key: | DTWKBHDNEKGNRU-UHFFFAOYSA-N |