2-methyl-5-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Chemical Structure Depiction of
2-methyl-5-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
2-methyl-5-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Compound characteristics
| Compound ID: | G808-0056 |
| Compound Name: | 2-methyl-5-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one |
| Molecular Weight: | 364.38 |
| Molecular Formula: | C17 H12 N6 O2 S |
| Smiles: | CC1=CC2=NC(CSc3nc4c(c5ccccc5[nH]4)nn3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3715 |
| logD: | 1.3715 |
| logSw: | -2.3276 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.998 |
| InChI Key: | QPYKHKAGRUHPDP-UHFFFAOYSA-N |