ethyl [6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-oxo-1,3-benzoxazol-3(2H)-yl]acetate
Chemical Structure Depiction of
ethyl [6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-oxo-1,3-benzoxazol-3(2H)-yl]acetate
ethyl [6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-oxo-1,3-benzoxazol-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | C602-0190 |
| Compound Name: | ethyl [6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-oxo-1,3-benzoxazol-3(2H)-yl]acetate |
| Molecular Weight: | 503.53 |
| Molecular Formula: | C23 H25 N3 O8 S |
| Smiles: | CCOC(CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1298 |
| logD: | 2.0347 |
| logSw: | -2.9087 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 95.864 |
| InChI Key: | AVFIWCCZUWDOLU-UHFFFAOYSA-N |