6-chloro-2-methyl-7-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-2-methyl-7-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-2-methyl-7-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0505 |
| Compound Name: | 6-chloro-2-methyl-7-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C23 H24 Cl N3 O5 S |
| Smiles: | CC1C(Nc2cc(c(cc2O1)S(N1CCN(CC1)C(/C=C/c1ccc(C)cc1)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1587 |
| logD: | 3.0894 |
| logSw: | -3.6147 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.487 |
| InChI Key: | OUQOXCCVFPOOOG-MRXNPFEDSA-N |