N-{4-[1-{2-oxo-2-[(1-phenylethyl)amino]ethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-[1-{2-oxo-2-[(1-phenylethyl)amino]ethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
N-{4-[1-{2-oxo-2-[(1-phenylethyl)amino]ethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F714-0916 |
| Compound Name: | N-{4-[1-{2-oxo-2-[(1-phenylethyl)amino]ethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C28 H31 N3 O4 S |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(NC(C)c1ccccc1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2874 |
| logD: | 4.2868 |
| logSw: | -4.066 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.437 |
| InChI Key: | OABDQOOZRCYFAW-UHFFFAOYSA-N |