N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-0422 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 416.86 |
| Molecular Formula: | C21 H21 Cl N2 O5 |
| Smiles: | CC1CN(C(CCC(NCc2ccc3c(c2)OCO3)=O)=O)c2cc(ccc2O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9884 |
| logD: | 2.9884 |
| logSw: | -3.5694 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.659 |
| InChI Key: | SXTVFGSBOUENIA-CYBMUJFWSA-N |