N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-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-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1030 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4653 |
| logD: | 2.4653 |
| logSw: | -2.7919 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.562 |
| InChI Key: | PBBFBNBHWBYJCX-UHFFFAOYSA-N |