4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(pyrrolidine-1-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-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0931 |
| Compound Name: | 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 542.61 |
| Molecular Formula: | C26 H30 N4 O7 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3601 |
| logD: | 1.1685 |
| logSw: | -2.4871 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.194 |
| InChI Key: | OMMSBPVOTDQKBU-UHFFFAOYSA-N |