1-(N-{[2,6-dibromo-4-(propan-2-yl)phenyl]carbamoyl}-D-phenylalanyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(N-{[2,6-dibromo-4-(propan-2-yl)phenyl]carbamoyl}-D-phenylalanyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
1-(N-{[2,6-dibromo-4-(propan-2-yl)phenyl]carbamoyl}-D-phenylalanyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | V003-1632 |
| Compound Name: | 1-(N-{[2,6-dibromo-4-(propan-2-yl)phenyl]carbamoyl}-D-phenylalanyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide |
| Molecular Weight: | 714.5 |
| Molecular Formula: | C33 H38 Br2 N4 O4 |
| Smiles: | CC(C)c1cc(c(c(c1)[Br])NC(N[C@H](Cc1ccccc1)C(N1CCC(CC1)C(NCc1cccc(c1)OC)=O)=O)=O)[Br] |
| Stereo: | ABSOLUTE |
| logP: | 5.2457 |
| logD: | 5.2457 |
| logSw: | -5.0436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.704 |
| InChI Key: | JQFRFKFIVWDLGE-GDLZYMKVSA-N |