{4-[8-chloro-3-(methoxymethyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[8-chloro-3-(methoxymethyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}(4-nitrophenyl)methanone
{4-[8-chloro-3-(methoxymethyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V029-0416 |
| Compound Name: | {4-[8-chloro-3-(methoxymethyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 495.92 |
| Molecular Formula: | C23 H22 Cl N7 O4 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)c1nc2cc(ccc2c2nnc(COC)n12)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4166 |
| logD: | 3.4015 |
| logSw: | -4.0936 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 91.721 |
| InChI Key: | WNELYRQAZFQDFV-AWEZNQCLSA-N |