6-chloro-7-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F184-1268 |
| Compound Name: | 6-chloro-7-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 547.07 |
| Molecular Formula: | C26 H31 Cl N4 O5 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(C1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1318 |
| logD: | 3.073 |
| logSw: | -3.4565 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.347 |
| InChI Key: | IJOAQOZZESYFHS-SFHVURJKSA-N |