N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1053 |
| Compound Name: | N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | C1CCN(C(Nc2ccc(CC(NCc3ccc4c(c3)OCO4)=O)cc2)=O)c2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.661 |
| logD: | 4.661 |
| logSw: | -4.5632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.019 |
| InChI Key: | IHVYIWNYZLDAHO-UHFFFAOYSA-N |