2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | D493-0105 |
| Compound Name: | 2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C26 H23 F N4 O2 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1=NC(c2ccccc2)=NCN1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5089 |
| logD: | 1.0021 |
| logSw: | -5.4356 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.989 |
| InChI Key: | WXAXXNHWXJNWPP-UHFFFAOYSA-N |