7-(1,3-benzothiazol-2-yl)-2-benzyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-(1,3-benzothiazol-2-yl)-2-benzyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(1,3-benzothiazol-2-yl)-2-benzyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-1009 |
| Compound Name: | 7-(1,3-benzothiazol-2-yl)-2-benzyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C23 H18 N6 S |
| Smiles: | Cc1c2c(ncn3c2nc(Cc2ccccc2)n3)n(c1C)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0053 |
| logD: | 4.9594 |
| logSw: | -5.015 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.343 |
| InChI Key: | NFADFSRSEZVVGG-UHFFFAOYSA-N |