7-cycloheptyl-2-[(3,4-dimethoxyphenyl)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-cycloheptyl-2-[(3,4-dimethoxyphenyl)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
7-cycloheptyl-2-[(3,4-dimethoxyphenyl)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-1112 |
| Compound Name: | 7-cycloheptyl-2-[(3,4-dimethoxyphenyl)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C25 H31 N5 O2 |
| Smiles: | Cc1c2c(ncn3c2nc(Cc2ccc(c(c2)OC)OC)n3)n(C2CCCCCC2)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.6129 |
| logD: | 4.509 |
| logSw: | -4.7127 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.233 |
| InChI Key: | QKDZIVLMHRTGQT-UHFFFAOYSA-N |