N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D493-0110 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C25 H21 F N4 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSC1=NC(c2ccccc2)=NCN1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8555 |
| logD: | -0.301 |
| logSw: | -4.7969 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.567 |
| InChI Key: | STZJUHXGYZTZGA-UHFFFAOYSA-N |