4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | F118-0638 |
| Compound Name: | 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C23 H25 N3 O6 |
| Smiles: | CCN(CC)C(c1ccc2c(c1)N(CC(NCc1ccc3c(c1)OCO3)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2246 |
| logD: | 1.2246 |
| logSw: | -2.3403 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.587 |
| InChI Key: | XYYDZDMSDJOCJF-UHFFFAOYSA-N |