[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone

C209H204Cl3F6N23O26S7 — CID 159233183

IUPAC[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(OC)c(CN2CCCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.Cc1cc(C)c(CN2CCCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1C.O=C(Cc1ccccc1F)N1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(Cc2cc(Cl)cc(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(Cc2ccc(Cl)cc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(C(=O)c2cccc(CO)c2F)CC1
InChIInChI=1S/C32H35N3O3S.C31H33N3O5S.C30H27F4N3O3S.C29H27Cl2N3O3S.C29H28ClN3O3S.C29H27FN4O5S.C29H27FN4O4S/c1-23-19-25(3)29(20-24(23)2)21-34-15-6-16-35(18-17-34)32(36)28-12-10-26(11-13-28)22-39(37,38)30-9-4-7-27-8-5-14-33-31(27)30;1-38-27-13-14-28(39-2)26(20-27)21-33-16-5-17-34(19-18-33)31(35)25-11-9-23(10-12-25)22-40(36,37)29-8-3-6-24-7-4-15-32-30(24)29;31-26-18-22(9-12-25(26)30(32,33)34)19-36-14-3-15-37(17-16-36)29(38)24-10-7-21(8-11-24)20-41(39,40)27-6-1-4-23-5-2-13-35-28(23)27;30-25-16-22(17-26(31)18-25)19-33-12-3-13-34(15-14-33)29(35)24-9-7-21(8-10-24)20-38(36,37)27-6-1-4-23-5-2-11-32-28(23)27;30-26-13-9-22(10-14-26)20-32-16-3-17-33(19-18-32)29(34)25-11-7-23(8-12-25)21-37(35,36)27-6-1-4-24-5-2-15-31-28(24)27;30-26-22(19-35)6-1-8-24(26)29(37)34-16-4-15-33(17-18-34)28(36)21-10-12-23(13-11-21)32-40(38,39)25-9-2-5-20-7-3-14-31-27(20)25;30-25-9-2-1-6-23(25)20-27(35)33-16-5-17-34(19-18-33)29(36)22-11-13-24(14-12-22)32-39(37,38)26-10-3-7-21-8-4-15-31-28(21)26/h4-5,7-14,19-20H,6,15-18,21-22H2,1-3H3;3-4,6-15,20H,5,16-19,21-22H2,1-2H3;1-2,4-13,18H,3,14-17,19-20H2;1-2,4-11,16-18H,3,12-15,19-20H2;1-2,4-15H,3,16-21H2;1-3,5-14,32,35H,4,15-19H2;1-4,6-15,32H,5,16-20H2
InChIKeyKTDPSQDJDMVCAJ-UHFFFAOYSA-N
MW3898.88 g/mol
LogP34.59
Rot. Bonds44

About [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone

[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 159233183) has the molecular formula C209H204Cl3F6N23O26S7 and a molecular weight of 3898.88 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID159233183
Molecular FormulaC209H204Cl3F6N23O26S7
Molecular Weight3898.88 g/mol
Exact Mass3894.24
IUPAC Name[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(OC)c(CN2CCCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.Cc1cc(C)c(CN2CCCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1C.O=C(Cc1ccccc1F)N1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(Cc2cc(Cl)cc(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(Cc2ccc(Cl)cc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(C(=O)c2cccc(CO)c2F)CC1
InChIInChI=1S/C32H35N3O3S.C31H33N3O5S.C30H27F4N3O3S.C29H27Cl2N3O3S.C29H28ClN3O3S.C29H27FN4O5S.C29H27FN4O4S/c1-23-19-25(3)29(20-24(23)2)21-34-15-6-16-35(18-17-34)32(36)28-12-10-26(11-13-28)22-39(37,38)30-9-4-7-27-8-5-14-33-31(27)30;1-38-27-13-14-28(39-2)26(20-27)21-33-16-5-17-34(19-18-33)31(35)25-11-9-23(10-12-25)22-40(36,37)29-8-3-6-24-7-4-15-32-30(24)29;31-26-18-22(9-12-25(26)30(32,33)34)19-36-14-3-15-37(17-16-36)29(38)24-10-7-21(8-11-24)20-41(39,40)27-6-1-4-23-5-2-13-35-28(23)27;30-25-16-22(17-26(31)18-25)19-33-12-3-13-34(15-14-33)29(35)24-9-7-21(8-10-24)20-38(36,37)27-6-1-4-23-5-2-11-32-28(23)27;30-26-13-9-22(10-14-26)20-32-16-3-17-33(19-18-32)29(34)25-11-7-23(8-12-25)21-37(35,36)27-6-1-4-24-5-2-15-31-28(24)27;30-26-22(19-35)6-1-8-24(26)29(37)34-16-4-15-33(17-18-34)28(36)21-10-12-23(13-11-21)32-40(38,39)25-9-2-5-20-7-3-14-31-27(20)25;30-25-9-2-1-6-23(25)20-27(35)33-16-5-17-34(19-18-33)29(36)22-11-13-24(14-12-22)32-39(37,38)26-10-3-7-21-8-4-15-31-28(21)26/h4-5,7-14,19-20H,6,15-18,21-22H2,1-3H3;3-4,6-15,20H,5,16-19,21-22H2,1-2H3;1-2,4-13,18H,3,14-17,19-20H2;1-2,4-11,16-18H,3,12-15,19-20H2;1-2,4-15H,3,16-21H2;1-3,5-14,32,35H,4,15-19H2;1-4,6-15,32H,5,16-20H2
InChIKeyKTDPSQDJDMVCAJ-UHFFFAOYSA-N
XLogP34.59
TPSA590.95 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds44
Heavy Atoms274
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003898.88
LogP ≤ 534.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

Analyze [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone (CID 159233183) is [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone is COc1ccc(OC)c(CN2CCCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.Cc1cc(C)c(CN2CCCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1C.O=C(Cc1ccccc1F)N1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(Cc2cc(Cl)cc(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(Cc2ccc(Cl)cc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(C(=O)c2cccc(CO)c2F)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is KTDPSQDJDMVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3S.C31H33N3O5S.C30H27F4N3O3S.C29H27Cl2N3O3S.C29H28ClN3O3S.C29H27FN4O5S.C29H27FN4O4S/c1-23-19-25(3)29(20-24(23)2)21-34-15-6-16-35(18-17-34)32(36)28-12-10-26(11-13-28)22-39(37,38)30-9-4-7-27-8-5-14-33-31(27)30;1-38-27-13-14-28(39-2)26(20-27)21-33-16-5-17-34(19-18-33)31(35)25-11-9-23(10-12-25)22-40(36,37)29-8-3-6-24-7-4-15-32-30(24)29;31-26-18-22(9-12-25(26)30(32,33)34)19-36-14-3-15-37(17-16-36)29(38)24-10-7-21(8-11-24)20-41(39,40)27-6-1-4-23-5-2-13-35-28(23)27;30-25-16-22(17-26(31)18-25)19-33-12-3-13-34(15-14-33)29(35)24-9-7-21(8-10-24)20-38(36,37)27-6-1-4-23-5-2-11-32-28(23)27;30-26-13-9-22(10-14-26)20-32-16-3-17-33(19-18-32)29(34)25-11-7-23(8-12-25)21-37(35,36)27-6-1-4-24-5-2-15-31-28(24)27;30-26-22(19-35)6-1-8-24(26)29(37)34-16-4-15-33(17-18-34)28(36)21-10-12-23(13-11-21)32-40(38,39)25-9-2-5-20-7-3-14-31-27(20)25;30-25-9-2-1-6-23(25)20-27(35)33-16-5-17-34(19-18-33)29(36)22-11-13-24(14-12-22)32-39(37,38)26-10-3-7-21-8-4-15-31-28(21)26/h4-5,7-14,19-20H,6,15-18,21-22H2,1-3H3;3-4,6-15,20H,5,16-19,21-22H2,1-2H3;1-2,4-13,18H,3,14-17,19-20H2;1-2,4-11,16-18H,3,12-15,19-20H2;1-2,4-15H,3,16-21H2;1-3,5-14,32,35H,4,15-19H2;1-4,6-15,32H,5,16-20H2.
What are the key properties of [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 3898.88 g/mol, XLogP of 34.59, 44 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 159233183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).