N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6466-0203 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.47 |
| Molecular Formula: | C23 H18 F3 N3 O3 S |
| Smiles: | C1Cc2c(c3ccccc13)nc(nc2C(F)(F)F)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0442 |
| logD: | 5.0442 |
| logSw: | -4.9225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.128 |
| InChI Key: | YSXPEMPEIDTRGM-UHFFFAOYSA-N |