4-{[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V018-7155 |
| Compound Name: | 4-{[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CN2C(COc3ccccc23)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2765 |
| logD: | 1.2765 |
| logSw: | -1.9406 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.912 |
| InChI Key: | JYKFGKWOMHUBDT-UHFFFAOYSA-N |