4-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V026-8901 |
| Compound Name: | 4-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C23 H27 N3 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CN2C(COc3ccc(C)cc23)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2878 |
| logD: | 2.1116 |
| logSw: | -2.5706 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.253 |
| InChI Key: | APLHWAYPFLRUMF-UHFFFAOYSA-N |