2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]butanamide
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C445-0252 |
| Compound Name: | 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C27 H31 N7 O4 S |
| Smiles: | CCC(C(NCc1ccco1)=O)Sc1nc2cc(c(cc2c2nc(CCn3c(C)cc(C)n3)nn12)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2817 |
| logD: | 3.1197 |
| logSw: | -3.3059 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.467 |
| InChI Key: | VVHJOWBBESYFQA-QHCPKHFHSA-N |