1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V021-6271 |
| Compound Name: | 1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C28 H32 N4 O5 |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2cc(C)ccc2C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5327 |
| logD: | 3.5322 |
| logSw: | -3.3746 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.044 |
| InChI Key: | DVKBYGDJGDVACA-UHFFFAOYSA-N |