N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | E645-2208 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C25 H23 N3 O5 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(NCc1ccc3c(c1)OCO3)=O)C(c1cccnc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.105 |
| logD: | 3.105 |
| logSw: | -3.4878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.097 |
| InChI Key: | UAMUHBVMVRWWAV-UHFFFAOYSA-N |