6-chloro-7-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0582 |
| Compound Name: | 6-chloro-7-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 481.93 |
| Molecular Formula: | C21 H21 Cl F N3 O5 S |
| Smiles: | CC1C(Nc2cc(c(cc2O1)S(N1CCN(CC1)C(c1ccc(C)c(c1)F)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6241 |
| logD: | 2.5549 |
| logSw: | -3.5272 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.014 |
| InChI Key: | YYCFBFCUARROCV-CYBMUJFWSA-N |