7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0507 |
| Compound Name: | 7-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-6-chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 493.92 |
| Molecular Formula: | C21 H20 Cl N3 O7 S |
| Smiles: | CC1C(Nc2cc(c(cc2O1)S(N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.877 |
| logD: | 1.8077 |
| logSw: | -3.0466 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.13 |
| InChI Key: | TZMQKLNKSXUDAZ-GFCCVEGCSA-N |