4-(azepane-1-carbonyl)-2-(4-chlorophenyl)-6,6-dimethyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-2-(4-chlorophenyl)-6,6-dimethyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
4-(azepane-1-carbonyl)-2-(4-chlorophenyl)-6,6-dimethyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Compound characteristics
Compound ID: | L120-1478 |
Compound Name: | 4-(azepane-1-carbonyl)-2-(4-chlorophenyl)-6,6-dimethyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione |
Molecular Weight: | 426.94 |
Molecular Formula: | C24 H27 Cl N2 O3 |
Smiles: | CC1(C)CC2C(=CN(C(C=2C(N2CCCCCC2)=O)=O)c2ccc(cc2)[Cl])C(C1)=O |
Stereo: | ACHIRAL |
logP: | 3.6358 |
logD: | 3.6358 |
logSw: | -3.8821 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 46.174 |
InChI Key: | AFRJXGNADBKWPL-UHFFFAOYSA-N |