6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C161H213Cl9N12O32S4 — CID 159998863

IUPAC6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)CCCOCCOCCOCCCS(=O)(=O)c1ccc(C2CN(C)Cc3c(Cl)cc(C)cc32)cc1.CCC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1.Cc1cc(Cl)c2c(c1)C(c1ccc(S(=O)(=O)CCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCCCc3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc1)CN(C)C2.Cc1cc(Cl)c2c(c1)C(c1ccc(S(=O)(=O)CCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCCCc3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc1)CN(C)C2
InChIInChI=1S/2C52H67Cl3N4O10S.C30H42ClNO6S.C27H37Cl2N3O6S/c2*1-35-27-41-43(31-58(2)33-45(41)47(54)28-35)38-12-14-40(15-13-38)70(64,65)26-6-19-67-23-25-69-21-17-57-52(63)50(61)49(60)51(62)56-16-20-68-24-22-66-18-5-4-7-36-8-10-37(11-9-36)44-32-59(3)34-46-42(44)29-39(53)30-48(46)55;1-4-25(33)7-5-12-36-14-16-38-17-15-37-13-6-18-39(34,35)26-10-8-24(9-11-26)28-21-32(3)22-29-27(28)19-23(2)20-30(29)31;1-3-27(33)30-8-10-36-12-14-38-15-13-37-11-9-31-39(34,35)22-6-4-20(5-7-22)24-18-32(2)19-25-23(24)16-21(28)17-26(25)29/h2*8-15,27-30,43-44,49-50,60-61H,4-7,16-26,31-34H2,1-3H3,(H,56,62)(H,57,63);8-11,19-20,28H,4-7,12-18,21-22H2,1-3H3;4-7,16-17,24,31H,3,8-15,18-19H2,1-2H3,(H,30,33)/t43?,44?,49-,50-;;;/m1.../s1
InChIKeyOHXFCFVQSBAGMJ-RSWPYDBKSA-N
MW3275.87 g/mol
LogP21.26
Rot. Bonds87

About 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide

6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 159998863) has the molecular formula C161H213Cl9N12O32S4 and a molecular weight of 3275.87 g/mol. Its IUPAC name is 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID159998863
Molecular FormulaC161H213Cl9N12O32S4
Molecular Weight3275.87 g/mol
Exact Mass3269.15
IUPAC Name6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)CCCOCCOCCOCCCS(=O)(=O)c1ccc(C2CN(C)Cc3c(Cl)cc(C)cc32)cc1.CCC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1.Cc1cc(Cl)c2c(c1)C(c1ccc(S(=O)(=O)CCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCCCc3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc1)CN(C)C2.Cc1cc(Cl)c2c(c1)C(c1ccc(S(=O)(=O)CCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCCCc3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc1)CN(C)C2
InChIInChI=1S/2C52H67Cl3N4O10S.C30H42ClNO6S.C27H37Cl2N3O6S/c2*1-35-27-41-43(31-58(2)33-45(41)47(54)28-35)38-12-14-40(15-13-38)70(64,65)26-6-19-67-23-25-69-21-17-57-52(63)50(61)49(60)51(62)56-16-20-68-24-22-66-18-5-4-7-36-8-10-37(11-9-36)44-32-59(3)34-46-42(44)29-39(53)30-48(46)55;1-4-25(33)7-5-12-36-14-16-38-17-15-37-13-6-18-39(34,35)26-10-8-24(9-11-26)28-21-32(3)22-29-27(28)19-23(2)20-30(29)31;1-3-27(33)30-8-10-36-12-14-38-15-13-37-11-9-31-39(34,35)22-6-4-20(5-7-22)24-18-32(2)19-25-23(24)16-21(28)17-26(25)29/h2*8-15,27-30,43-44,49-50,60-61H,4-7,16-26,31-34H2,1-3H3,(H,56,62)(H,57,63);8-11,19-20,28H,4-7,12-18,21-22H2,1-3H3;4-7,16-17,24,31H,3,8-15,18-19H2,1-2H3,(H,30,33)/t43?,44?,49-,50-;;;/m1.../s1
InChIKeyOHXFCFVQSBAGMJ-RSWPYDBKSA-N
XLogP21.26
TPSA540.74 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds87
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003275.87
LogP ≤ 521.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 159998863) is 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CCC(=O)CCCOCCOCCOCCCS(=O)(=O)c1ccc(C2CN(C)Cc3c(Cl)cc(C)cc32)cc1.CCC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1.Cc1cc(Cl)c2c(c1)C(c1ccc(S(=O)(=O)CCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCCCc3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc1)CN(C)C2.Cc1cc(Cl)c2c(c1)C(c1ccc(S(=O)(=O)CCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCCCc3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc1)CN(C)C2.
What is the InChIKey of 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is OHXFCFVQSBAGMJ-RSWPYDBKSA-N. The full InChI is InChI=1S/2C52H67Cl3N4O10S.C30H42ClNO6S.C27H37Cl2N3O6S/c2*1-35-27-41-43(31-58(2)33-45(41)47(54)28-35)38-12-14-40(15-13-38)70(64,65)26-6-19-67-23-25-69-21-17-57-52(63)50(61)49(60)51(62)56-16-20-68-24-22-66-18-5-4-7-36-8-10-37(11-9-36)44-32-59(3)34-46-42(44)29-39(53)30-48(46)55;1-4-25(33)7-5-12-36-14-16-38-17-15-37-13-6-18-39(34,35)26-10-8-24(9-11-26)28-21-32(3)22-29-27(28)19-23(2)20-30(29)31;1-3-27(33)30-8-10-36-12-14-38-15-13-37-11-9-31-39(34,35)22-6-4-20(5-7-22)24-18-32(2)19-25-23(24)16-21(28)17-26(25)29/h2*8-15,27-30,43-44,49-50,60-61H,4-7,16-26,31-34H2,1-3H3,(H,56,62)(H,57,63);8-11,19-20,28H,4-7,12-18,21-22H2,1-3H3;4-7,16-17,24,31H,3,8-15,18-19H2,1-2H3,(H,30,33)/t43?,44?,49-,50-;;;/m1.../s1.
What are the key properties of 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 3275.87 g/mol, XLogP of 21.26, 87 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;(2R,3R)-N-[2-[2-[3-[4-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]-N'-[2-[2-[4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide;N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 159998863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).