3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone

C152H162N12O14S6 — CID 159066754

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
SMILESC=S(=O)(Cc1cccc(C(=O)N2CCC(CCC)CC2)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2CCCC3CCCCC32)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2CCCCCC2)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2CCc3ccccc3C2)n1)c1cccc2ccccc12.CC1CCC(C)N1C(=O)c1cccc(CS(=O)(=O)c2cccc3ccccc23)n1.CCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3cccc4ccccc34)n2)C1
InChIInChI=1S/C27H30N2O2S.C27H24N2O2S.C26H30N2O2S.C25H28N2O3S.C24H26N2O2S.C23H24N2O3S/c1-32(31,26-17-6-11-20-9-2-4-14-23(20)26)19-22-13-7-15-24(28-22)27(30)29-18-8-12-21-10-3-5-16-25(21)29;1-32(31,26-15-6-11-21-9-4-5-13-24(21)26)19-23-12-7-14-25(28-23)27(30)29-17-16-20-8-2-3-10-22(20)18-29;1-3-8-20-15-17-28(18-16-20)26(29)24-13-7-11-22(27-24)19-31(2,30)25-14-6-10-21-9-4-5-12-23(21)25;1-3-19-15-14-18(2)27(16-19)25(28)23-12-7-10-21(26-23)17-31(29,30)24-13-6-9-20-8-4-5-11-22(20)24;1-29(28,23-15-8-11-19-10-4-5-13-21(19)23)18-20-12-9-14-22(25-20)24(27)26-16-6-2-3-7-17-26;1-16-13-14-17(2)25(16)23(26)21-11-6-9-19(24-21)15-29(27,28)22-12-5-8-18-7-3-4-10-20(18)22/h2,4,6-7,9,11,13-15,17,21,25H,1,3,5,8,10,12,16,18-19H2;2-15H,1,16-19H2;4-7,9-14,20H,2-3,8,15-19H2,1H3;4-13,18-19H,3,14-17H2,1-2H3;4-5,8-15H,1-3,6-7,16-18H2;3-12,16-17H,13-15H2,1-2H3
InChIKeyJZDMXLFTFSLCIH-UHFFFAOYSA-N
MW2573.44 g/mol
LogP28.78
Rot. Bonds27

About 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone (PubChem CID 159066754) has the molecular formula C152H162N12O14S6 and a molecular weight of 2573.44 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
PubChem CID159066754
Molecular FormulaC152H162N12O14S6
Molecular Weight2573.44 g/mol
Exact Mass2571.07
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
SMILESC=S(=O)(Cc1cccc(C(=O)N2CCC(CCC)CC2)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2CCCC3CCCCC32)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2CCCCCC2)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2CCc3ccccc3C2)n1)c1cccc2ccccc12.CC1CCC(C)N1C(=O)c1cccc(CS(=O)(=O)c2cccc3ccccc23)n1.CCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3cccc4ccccc34)n2)C1
InChIInChI=1S/C27H30N2O2S.C27H24N2O2S.C26H30N2O2S.C25H28N2O3S.C24H26N2O2S.C23H24N2O3S/c1-32(31,26-17-6-11-20-9-2-4-14-23(20)26)19-22-13-7-15-24(28-22)27(30)29-18-8-12-21-10-3-5-16-25(21)29;1-32(31,26-15-6-11-21-9-4-5-13-24(21)26)19-23-12-7-14-25(28-23)27(30)29-17-16-20-8-2-3-10-22(20)18-29;1-3-8-20-15-17-28(18-16-20)26(29)24-13-7-11-22(27-24)19-31(2,30)25-14-6-10-21-9-4-5-12-23(21)25;1-3-19-15-14-18(2)27(16-19)25(28)23-12-7-10-21(26-23)17-31(29,30)24-13-6-9-20-8-4-5-11-22(20)24;1-29(28,23-15-8-11-19-10-4-5-13-21(19)23)18-20-12-9-14-22(25-20)24(27)26-16-6-2-3-7-17-26;1-16-13-14-17(2)25(16)23(26)21-11-6-9-19(24-21)15-29(27,28)22-12-5-8-18-7-3-4-10-20(18)22/h2,4,6-7,9,11,13-15,17,21,25H,1,3,5,8,10,12,16,18-19H2;2-15H,1,16-19H2;4-7,9-14,20H,2-3,8,15-19H2,1H3;4-13,18-19H,3,14-17H2,1-2H3;4-5,8-15H,1-3,6-7,16-18H2;3-12,16-17H,13-15H2,1-2H3
InChIKeyJZDMXLFTFSLCIH-UHFFFAOYSA-N
XLogP28.78
TPSA335.76 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002573.44
LogP ≤ 528.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone (CID 159066754) is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone is C=S(=O)(Cc1cccc(C(=O)N2CCC(CCC)CC2)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2CCCC3CCCCC32)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2CCCCCC2)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2CCc3ccccc3C2)n1)c1cccc2ccccc12.CC1CCC(C)N1C(=O)c1cccc(CS(=O)(=O)c2cccc3ccccc23)n1.CCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3cccc4ccccc34)n2)C1.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The InChIKey is JZDMXLFTFSLCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2S.C27H24N2O2S.C26H30N2O2S.C25H28N2O3S.C24H26N2O2S.C23H24N2O3S/c1-32(31,26-17-6-11-20-9-2-4-14-23(20)26)19-22-13-7-15-24(28-22)27(30)29-18-8-12-21-10-3-5-16-25(21)29;1-32(31,26-15-6-11-21-9-4-5-13-24(21)26)19-23-12-7-14-25(28-23)27(30)29-17-16-20-8-2-3-10-22(20)18-29;1-3-8-20-15-17-28(18-16-20)26(29)24-13-7-11-22(27-24)19-31(2,30)25-14-6-10-21-9-4-5-12-23(21)25;1-3-19-15-14-18(2)27(16-19)25(28)23-12-7-10-21(26-23)17-31(29,30)24-13-6-9-20-8-4-5-11-22(20)24;1-29(28,23-15-8-11-19-10-4-5-13-21(19)23)18-20-12-9-14-22(25-20)24(27)26-16-6-2-3-7-17-26;1-16-13-14-17(2)25(16)23(26)21-11-6-9-19(24-21)15-29(27,28)22-12-5-8-18-7-3-4-10-20(18)22/h2,4,6-7,9,11,13-15,17,21,25H,1,3,5,8,10,12,16,18-19H2;2-15H,1,16-19H2;4-7,9-14,20H,2-3,8,15-19H2,1H3;4-13,18-19H,3,14-17H2,1-2H3;4-5,8-15H,1-3,6-7,16-18H2;3-12,16-17H,13-15H2,1-2H3.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone has a molecular weight of 2573.44 g/mol, XLogP of 28.78, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(2,5-dimethylpyrrolidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 159066754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).