1,3-bis[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propan-2-one
Chemical Structure Depiction of
1,3-bis[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propan-2-one
1,3-bis[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propan-2-one
Compound characteristics
| Compound ID: | 8004-9561 |
| Compound Name: | 1,3-bis[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propan-2-one |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C21 H14 N8 O S2 |
| Smiles: | C(C(CSc1nc2c(c3ccccc3[nH]2)nn1)=O)Sc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.6278 |
| logD: | 2.6278 |
| logSw: | -2.9465 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.857 |
| InChI Key: | FBHAFGICZWIOJG-UHFFFAOYSA-N |