N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-5-(3,4-dimethylphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-5-(3,4-dimethylphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-5-(3,4-dimethylphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | V003-0790 |
| Compound Name: | N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-5-(3,4-dimethylphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C27 H31 N3 O5 |
| Smiles: | CC(C)CN(CCC(NCc1ccc2c(c1)OCO2)=O)C(c1cc(c2ccc(C)c(C)c2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0591 |
| logD: | 5.0591 |
| logSw: | -4.6136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.55 |
| InChI Key: | AYMZTLSUHFJIQH-UHFFFAOYSA-N |