4-{[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V001-3994 |
| Compound Name: | 4-{[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CN2C(COc3ccc(C)cc23)=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5218 |
| logD: | 1.5218 |
| logSw: | -1.9885 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.754 |
| InChI Key: | BYKIODQXEHCXCR-UHFFFAOYSA-N |