1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V018-0018 |
| Compound Name: | 1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 498.61 |
| Molecular Formula: | C27 H26 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(Cc1cccs1)=O)c1nc2ccccc2c2nnc(c3cccc(c3)OC)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5273 |
| logD: | 4.4785 |
| logSw: | -4.4262 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.702 |
| InChI Key: | BJCNJTJQLIYEBL-SFHVURJKSA-N |