6-acetyl-4-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-acetyl-4-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
6-acetyl-4-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V006-9058 |
| Compound Name: | 6-acetyl-4-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 527.58 |
| Molecular Formula: | C30 H29 N3 O6 |
| Salt: | not_available |
| Smiles: | CC(c1ccc2c(c1)N(Cc1ccc(cc1)C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3889 |
| logD: | 2.1973 |
| logSw: | -2.7158 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.199 |
| InChI Key: | VPOCIWUZGIVBGG-UHFFFAOYSA-N |