N-{4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-{4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-{4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1036 |
| Compound Name: | N-{4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | COc1cc(cc(c1)OC)NC(Cc1ccc(cc1)NC(N1CCCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2246 |
| logD: | 5.2238 |
| logSw: | -4.9332 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.668 |
| InChI Key: | VQFDEDNLQJEHFP-UHFFFAOYSA-N |