1-benzyl-3-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-1,3-diazinan-2-one
Chemical Structure Depiction of
1-benzyl-3-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-1,3-diazinan-2-one
1-benzyl-3-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | J076-0698 |
| Compound Name: | 1-benzyl-3-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-1,3-diazinan-2-one |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C27 H27 N3 O2 |
| Smiles: | C1CN(Cc2ccccc2)C(N(C1)c1ccc(cc1)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1984 |
| logD: | 4.1984 |
| logSw: | -4.2393 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.107 |
| InChI Key: | KIMFPEJREDGOQH-UHFFFAOYSA-N |