7-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-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-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-1002 |
| Compound Name: | 7-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 430.92 |
| Molecular Formula: | C22 H15 Cl N6 S |
| Smiles: | Cc1c2c(ncn3c2nc(c2ccccc2[Cl])n3)n(c1C)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4915 |
| logD: | 5.3457 |
| logSw: | -6.1023 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.353 |
| InChI Key: | BBALUMASIYTAIQ-UHFFFAOYSA-N |