7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-2-(thiophen-2-yl)-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-(thiophen-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-2-(thiophen-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-1015 |
| Compound Name: | 7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-2-(thiophen-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C20 H14 N6 S2 |
| Smiles: | Cc1c2c(ncn3c2nc(c2cccs2)n3)n(c1C)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9802 |
| logD: | 4.8766 |
| logSw: | -4.9794 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.371 |
| InChI Key: | DRJDWYOXVBKGSD-UHFFFAOYSA-N |