2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-0409 |
| Compound Name: | 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C21 H22 N6 S2 |
| Smiles: | CC(C)Cn1c(C)c(C)c2c1ncn1c2nc(CSc2nc3ccccc3s2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2735 |
| logD: | 5.2284 |
| logSw: | -5.5047 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.418 |
| InChI Key: | AJFCQQGWLMPVNP-UHFFFAOYSA-N |