N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6466-0193 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C22 H16 F3 N3 O3 S |
| Smiles: | C1Cc2c(c3ccccc13)nc(nc2C(F)(F)F)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2829 |
| logD: | 5.2829 |
| logSw: | -5.5683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.806 |
| InChI Key: | BBTXBSMLDVHXMH-UHFFFAOYSA-N |