4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0729 |
| Compound Name: | 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(morpholine-4-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 558.61 |
| Molecular Formula: | C26 H30 N4 O8 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(CN1C(COc2ccc(cc12)S(N1CCOCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7011 |
| logD: | 0.5095 |
| logSw: | -2.4195 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 100.736 |
| InChI Key: | QDDCLHQOTPREOX-UHFFFAOYSA-N |