2-{[1-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | D493-0162 |
| Compound Name: | 2-{[1-(4-methoxyphenyl)-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: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1=NC(c2ccccc2)=NCN1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4622 |
| logD: | 0.9554 |
| logSw: | -5.4504 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.532 |
| InChI Key: | PWHLOFKKCWPACE-UHFFFAOYSA-N |