[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,4-dimethoxyphenyl)methyl]amino}methyl)-1,3-thiazol-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,4-dimethoxyphenyl)methyl]amino}methyl)-1,3-thiazol-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,4-dimethoxyphenyl)methyl]amino}methyl)-1,3-thiazol-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V006-8017 |
| Compound Name: | [2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,4-dimethoxyphenyl)methyl]amino}methyl)-1,3-thiazol-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 631.71 |
| Molecular Formula: | C32 H33 N5 O7 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(cs2)C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2256 |
| logD: | 5.2251 |
| logSw: | -5.1208 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.759 |
| InChI Key: | PZLRENSAZYENPT-UHFFFAOYSA-N |