1-{1-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,4-dimethoxyphenyl)methyl]amino}methyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
1-{1-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,4-dimethoxyphenyl)methyl]amino}methyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
1-{1-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,4-dimethoxyphenyl)methyl]amino}methyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | V006-7946 |
| Compound Name: | 1-{1-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,4-dimethoxyphenyl)methyl]amino}methyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 641.75 |
| Molecular Formula: | C34 H35 N5 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(cs2)C(N2CCC(CC2)N2C(Nc3ccccc23)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6247 |
| logD: | 5.6243 |
| logSw: | -5.4577 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.97 |
| InChI Key: | QMPFYUFHAUEYMC-UHFFFAOYSA-N |