N-[(adamantan-1-yl)methyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
N-[(adamantan-1-yl)methyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-9678 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 487.59 |
| Molecular Formula: | C26 H28 F3 N3 O S |
| Smiles: | C1Cc2c(c3ccccc13)nc(nc2C(F)(F)F)SCC(NCC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9264 |
| logD: | 6.9264 |
| logSw: | -6.185 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.046 |
| InChI Key: | OKDLEWGCJQYDQE-UHFFFAOYSA-N |