1-(3-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propyl)-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
1-(3-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propyl)-1,3-dihydro-2H-benzimidazol-2-one
1-(3-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propyl)-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | 5025-0002 |
| Compound Name: | 1-(3-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propyl)-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C27 H24 N6 O S |
| Smiles: | C(CN1C(Nc2ccccc12)=O)CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.5094 |
| logD: | 5.5094 |
| logSw: | -5.8457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.759 |
| InChI Key: | XVXWZIOKBCGNLS-UHFFFAOYSA-N |