methyl 4-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzoate
methyl 4-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 8012-9089 |
| Compound Name: | methyl 4-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C19 H16 N4 O2 S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4167 |
| logD: | 3.4167 |
| logSw: | -3.6938 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.962 |
| InChI Key: | BVNXGOAXQYBMHL-UHFFFAOYSA-N |