5-methyl-8-{[(3-methylphenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
5-methyl-8-{[(3-methylphenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
5-methyl-8-{[(3-methylphenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-0797 |
| Compound Name: | 5-methyl-8-{[(3-methylphenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 325.45 |
| Molecular Formula: | C17 H15 N3 S2 |
| Smiles: | Cc1cccc(CSc2c3cc4c(ccs4)n3c(C)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3594 |
| logD: | 4.3588 |
| logSw: | -4.4088 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.1144 |
| InChI Key: | OKYXTWLSWUGULM-UHFFFAOYSA-N |