7,9-dimethyl-2-[1-(4-nitro-1H-pyrazol-1-yl)propyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7,9-dimethyl-2-[1-(4-nitro-1H-pyrazol-1-yl)propyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7,9-dimethyl-2-[1-(4-nitro-1H-pyrazol-1-yl)propyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y503-4763 |
| Compound Name: | 7,9-dimethyl-2-[1-(4-nitro-1H-pyrazol-1-yl)propyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 408.44 |
| Molecular Formula: | C18 H16 N8 O2 S |
| Smiles: | CCC(c1nc2c3c(c4c(C)cc(C)nc4s3)ncn2n1)n1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2496 |
| logD: | 3.104 |
| logSw: | -3.4493 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.575 |
| InChI Key: | VUTRZBKQBKTVLA-LBPRGKRZSA-N |