3,3-dimethyl-1-{2-methyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-{2-methyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-1-one
3,3-dimethyl-1-{2-methyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V021-8870 |
| Compound Name: | 3,3-dimethyl-1-{2-methyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C24 H28 N6 O S |
| Smiles: | CC1CN(CCN1C(CC(C)(C)C)=O)c1nc2ccccc2c2nnc(c3cccs3)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8335 |
| logD: | 4.7948 |
| logSw: | -4.7137 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.43 |
| InChI Key: | KUUCOUYSLOMTDN-INIZCTEOSA-N |