N-(2H-1,3-benzodioxol-5-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide
N-(2H-1,3-benzodioxol-5-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide
Compound characteristics
| Compound ID: | K906-1428 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide |
| Molecular Weight: | 528.58 |
| Molecular Formula: | C25 H28 N4 O7 S |
| Smiles: | Cc1c(c(C)on1)S(N(CC(N1CCN(CC1)c1ccc(cc1)OC)=O)c1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.432 |
| logD: | 2.4315 |
| logSw: | -2.9612 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 98.143 |
| InChI Key: | YGYIGNPSFJJDGT-UHFFFAOYSA-N |