N-(3-chloro-2-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(3-chloro-2-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | Y600-0955 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 316.85 |
| Molecular Formula: | C17 H17 Cl N2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(N1CCc2ccccc2C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1814 |
| logD: | 5.1814 |
| logSw: | -5.6723 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 10.1008 |
| InChI Key: | GWWZHPOUDHVWPE-UHFFFAOYSA-N |