N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6466-0197 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 503.54 |
| Molecular Formula: | C25 H24 F3 N3 O3 S |
| Smiles: | COc1ccc(CCNC(CSc2nc3c4ccccc4CCc3c(C(F)(F)F)n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4229 |
| logD: | 4.4229 |
| logSw: | -4.3991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.115 |
| InChI Key: | ZKHRUICXZFXQGK-UHFFFAOYSA-N |