1-{3-[(5-methyl-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-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one
1-{3-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | 4249-0053 |
| Compound Name: | 1-{3-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 390.47 |
| Molecular Formula: | C20 H18 N6 O S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCCCN1C(Nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4854 |
| logD: | 3.4854 |
| logSw: | -3.8528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.862 |
| InChI Key: | SNNNNMXCZKIJFT-UHFFFAOYSA-N |