7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0066 |
| Compound Name: | 7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)C(c1ccc3c(c1)OCO3)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0314 |
| logD: | 1.0309 |
| logSw: | -2.4619 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.791 |
| InChI Key: | IJLJYBFZIUKQOQ-UHFFFAOYSA-N |