N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylbenzene-1-sulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylbenzene-1-sulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylbenzene-1-sulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
Compound characteristics
| Compound ID: | D072-0797 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylbenzene-1-sulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(c1c(NCc2ccc3c(c2)OCO3)oc(c2cccc(C)c2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.266 |
| logD: | 5.266 |
| logSw: | -5.3664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.117 |
| InChI Key: | PCYNYWMEIQILSX-UHFFFAOYSA-N |