{2-[({[4-(benzyloxy)phenyl]methyl}[2-(3,4-dimethoxyphenyl)ethyl]amino)methyl]-1,3-thiazol-4-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{2-[({[4-(benzyloxy)phenyl]methyl}[2-(3,4-dimethoxyphenyl)ethyl]amino)methyl]-1,3-thiazol-4-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
{2-[({[4-(benzyloxy)phenyl]methyl}[2-(3,4-dimethoxyphenyl)ethyl]amino)methyl]-1,3-thiazol-4-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V016-9661 |
| Compound Name: | {2-[({[4-(benzyloxy)phenyl]methyl}[2-(3,4-dimethoxyphenyl)ethyl]amino)methyl]-1,3-thiazol-4-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 707.85 |
| Molecular Formula: | C39 H41 N5 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CCN(Cc2ccc(cc2)OCc2ccccc2)Cc2nc(cs2)C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.4514 |
| logD: | 6.4514 |
| logSw: | -5.6437 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.936 |
| InChI Key: | QECGIMKLPZOCSO-UHFFFAOYSA-N |