6-chloro-2-methyl-7-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-2-methyl-7-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-2-methyl-7-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0563 |
| Compound Name: | 6-chloro-2-methyl-7-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Smiles: | CC1C(Nc2cc(c(cc2O1)S(N1CCN(CC1)C(COc1cccc(C)c1)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3111 |
| logD: | 2.2418 |
| logSw: | -3.2853 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.986 |
| InChI Key: | PHCKLEPFXFGGCA-OAHLLOKOSA-N |