methyl 2-[(4-{[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazine-1-sulfonyl)methyl]benzoate
Chemical Structure Depiction of
methyl 2-[(4-{[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazine-1-sulfonyl)methyl]benzoate
methyl 2-[(4-{[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazine-1-sulfonyl)methyl]benzoate
Compound characteristics
| Compound ID: | V030-2641 |
| Compound Name: | methyl 2-[(4-{[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazine-1-sulfonyl)methyl]benzoate |
| Molecular Weight: | 625.7 |
| Molecular Formula: | C33 H31 N5 O6 S |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1CS(N1CCN(CC1)Cc1c(c2cccc(c2)[N+]([O-])=O)nc2ccc(cn12)c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3079 |
| logD: | 5.3072 |
| logSw: | -5.275 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 97.927 |
| InChI Key: | PXKCMTYWRLASFH-UHFFFAOYSA-N |