N-(3-chloro-4-fluorophenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8010-5856 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C25 H19 Cl F N5 O S |
| Smiles: | C(Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(c(c1)[Cl])F)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7555 |
| logD: | 5.7473 |
| logSw: | -6.0801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.834 |
| InChI Key: | OXGBVOWTKGFOOH-UHFFFAOYSA-N |