7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0213 |
| Compound Name: | 7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 479.89 |
| Molecular Formula: | C20 H18 Cl N3 O7 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)OCO2)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2909 |
| logD: | 1.2323 |
| logSw: | -2.9232 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.791 |
| InChI Key: | LNTIYOOLPNFLQR-UHFFFAOYSA-N |