1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol

C156H169Cl2F4N11O17S2 — CID 159440597

IUPAC1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol
SMILESCC(F)(F)c1cc(Cl)cc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CC(F)(F)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1.CN(C)c1ncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.CS(=O)(=O)Nc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CS(=O)(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.O=C(c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1)N1CCCCC1
InChIInChI=1S/C30H34N2O3.2C26H26ClF2NO2.C25H28N2O4S.C25H27NO4S.C24H28N4O2/c33-28(21-31-17-14-23-8-2-3-9-27(23)20-31)22-35-29-13-7-11-25(19-29)24-10-6-12-26(18-24)30(34)32-15-4-1-5-16-32;1-26(28,29)22-11-21(12-23(27)14-22)19-7-4-8-25(13-19)32-17-24(31)16-30-10-9-18-5-2-3-6-20(18)15-30;1-26(28,29)21-9-10-24(25(27)14-21)19-7-4-8-23(13-19)32-17-22(31)16-30-12-11-18-5-2-3-6-20(18)15-30;1-32(29,30)26-23-11-9-20(10-12-23)21-7-4-8-25(15-21)31-18-24(28)17-27-14-13-19-5-2-3-6-22(19)16-27;1-31(28,29)25-11-5-9-21(15-25)20-8-4-10-24(14-20)30-18-23(27)17-26-13-12-19-6-2-3-7-22(19)16-26;1-27(2)24-25-13-21(14-26-24)19-8-5-9-23(12-19)30-17-22(29)16-28-11-10-18-6-3-4-7-20(18)15-28/h2-3,6-13,18-19,28,33H,1,4-5,14-17,20-22H2;2-8,11-14,24,31H,9-10,15-17H2,1H3;2-10,13-14,22,31H,11-12,15-17H2,1H3;2-12,15,24,26,28H,13-14,16-18H2,1H3;2-11,14-15,23,27H,12-13,16-18H2,1H3;3-9,12-14,22,29H,10-11,15-17H2,1-2H3
InChIKeyLSCUZTAOZIBDDA-UHFFFAOYSA-N
MW2681.16 g/mol
LogP26.70
Rot. Bonds43

About 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol

1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol (PubChem CID 159440597) has the molecular formula C156H169Cl2F4N11O17S2 and a molecular weight of 2681.16 g/mol. Its IUPAC name is 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol
PubChem CID159440597
Molecular FormulaC156H169Cl2F4N11O17S2
Molecular Weight2681.16 g/mol
Exact Mass2678.15
IUPAC Name1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol
SMILESCC(F)(F)c1cc(Cl)cc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CC(F)(F)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1.CN(C)c1ncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.CS(=O)(=O)Nc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CS(=O)(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.O=C(c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1)N1CCCCC1
InChIInChI=1S/C30H34N2O3.2C26H26ClF2NO2.C25H28N2O4S.C25H27NO4S.C24H28N4O2/c33-28(21-31-17-14-23-8-2-3-9-27(23)20-31)22-35-29-13-7-11-25(19-29)24-10-6-12-26(18-24)30(34)32-15-4-1-5-16-32;1-26(28,29)22-11-21(12-23(27)14-22)19-7-4-8-25(13-19)32-17-24(31)16-30-10-9-18-5-2-3-6-20(18)15-30;1-26(28,29)21-9-10-24(25(27)14-21)19-7-4-8-23(13-19)32-17-22(31)16-30-12-11-18-5-2-3-6-20(18)15-30;1-32(29,30)26-23-11-9-20(10-12-23)21-7-4-8-25(15-21)31-18-24(28)17-27-14-13-19-5-2-3-6-22(19)16-27;1-31(28,29)25-11-5-9-21(15-25)20-8-4-10-24(14-20)30-18-23(27)17-26-13-12-19-6-2-3-7-22(19)16-26;1-27(2)24-25-13-21(14-26-24)19-8-5-9-23(12-19)30-17-22(29)16-28-11-10-18-6-3-4-7-20(18)15-28/h2-3,6-13,18-19,28,33H,1,4-5,14-17,20-22H2;2-8,11-14,24,31H,9-10,15-17H2,1H3;2-10,13-14,22,31H,11-12,15-17H2,1H3;2-12,15,24,26,28H,13-14,16-18H2,1H3;2-11,14-15,23,27H,12-13,16-18H2,1H3;3-9,12-14,22,29H,10-11,15-17H2,1-2H3
InChIKeyLSCUZTAOZIBDDA-UHFFFAOYSA-N
XLogP26.70
TPSA325.84 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds43
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002681.16
LogP ≤ 526.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(3-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylphenoxy)propan-2-ol;methane
CID 159699049
1-[3-[2-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(2-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-methylphenyl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,N-dimethylbenzenesulfonamide;1-[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylsulfonylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;methane
CID 161265347

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol (CID 159440597) is 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol is CC(F)(F)c1cc(Cl)cc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CC(F)(F)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1.CN(C)c1ncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.CS(=O)(=O)Nc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CS(=O)(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.O=C(c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1)N1CCCCC1.
What is the InChIKey of 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol?
The InChIKey is LSCUZTAOZIBDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3.2C26H26ClF2NO2.C25H28N2O4S.C25H27NO4S.C24H28N4O2/c33-28(21-31-17-14-23-8-2-3-9-27(23)20-31)22-35-29-13-7-11-25(19-29)24-10-6-12-26(18-24)30(34)32-15-4-1-5-16-32;1-26(28,29)22-11-21(12-23(27)14-22)19-7-4-8-25(13-19)32-17-24(31)16-30-10-9-18-5-2-3-6-20(18)15-30;1-26(28,29)21-9-10-24(25(27)14-21)19-7-4-8-23(13-19)32-17-22(31)16-30-12-11-18-5-2-3-6-20(18)15-30;1-32(29,30)26-23-11-9-20(10-12-23)21-7-4-8-25(15-21)31-18-24(28)17-27-14-13-19-5-2-3-6-22(19)16-27;1-31(28,29)25-11-5-9-21(15-25)20-8-4-10-24(14-20)30-18-23(27)17-26-13-12-19-6-2-3-7-22(19)16-26;1-27(2)24-25-13-21(14-26-24)19-8-5-9-23(12-19)30-17-22(29)16-28-11-10-18-6-3-4-7-20(18)15-28/h2-3,6-13,18-19,28,33H,1,4-5,14-17,20-22H2;2-8,11-14,24,31H,9-10,15-17H2,1H3;2-10,13-14,22,31H,11-12,15-17H2,1H3;2-12,15,24,26,28H,13-14,16-18H2,1H3;2-11,14-15,23,27H,12-13,16-18H2,1H3;3-9,12-14,22,29H,10-11,15-17H2,1-2H3.
What are the key properties of 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol?
1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol has a molecular weight of 2681.16 g/mol, XLogP of 26.70, 43 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylsulfonylphenyl)phenoxy]propan-2-ol is sourced from PubChem (CID 159440597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).