7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-2-(2-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-2-(2-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-2-(2-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-0995 |
| Compound Name: | 7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-2-(2-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C23 H18 N6 S |
| Smiles: | Cc1ccccc1c1nc2c3c(C)c(C)n(c3ncn2n1)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3433 |
| logD: | 5.1974 |
| logSw: | -5.8032 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.353 |
| InChI Key: | FLFXACDDZYYTKC-UHFFFAOYSA-N |