N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-0175 |
| Compound Name: | N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 482.63 |
| Molecular Formula: | C30 H34 N4 O2 |
| Smiles: | C1CCN(C(Nc2ccc(cc2)C(NCCCN2CCc3ccccc3C2)=O)=O)c2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.1145 |
| logD: | 3.9646 |
| logSw: | -5.2111 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.602 |
| InChI Key: | BONGVRGZCMDRFH-UHFFFAOYSA-N |