ethyl 3-(2-{4-[(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{4-[(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate
ethyl 3-(2-{4-[(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G217-1041 |
| Compound Name: | ethyl 3-(2-{4-[(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)amino]phenyl}acetamido)benzoate |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C28 H29 N3 O4 |
| Smiles: | CCOC(c1cccc(c1)NC(Cc1ccc(cc1)NC(N1CCCCc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8675 |
| logD: | 5.8675 |
| logSw: | -5.3345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.335 |
| InChI Key: | TUPHQQKAGVDVBX-UHFFFAOYSA-N |