1-{4-[8-chloro-3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-{4-[8-chloro-3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one
1-{4-[8-chloro-3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V020-0169 |
| Compound Name: | 1-{4-[8-chloro-3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 491.04 |
| Molecular Formula: | C27 H31 Cl N6 O |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(CC(C)(C)C)=O)c1nc2cc(ccc2c2nnc(c3ccccc3C)n12)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.102 |
| logD: | 5.986 |
| logSw: | -6.0643 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.412 |
| InChI Key: | LWCYCYKHUIJFQS-SFHVURJKSA-N |