acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

C181H201F16N11O29S4 — CID 159962778

About acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate (PubChem CID 159962778) has the molecular formula C181H201F16N11O29S4 and a molecular weight of 3426.88 g/mol. Its IUPAC name is acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate.

Molecular Properties

• Compound Name: acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
• PubChem CID: 159962778
• Molecular Formula: C181H201F16N11O29S4
• Molecular Weight: 3426.88 g/mol
• Exact Mass: 3424.32
• IUPAC Name: acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
• SMILES: C.C=C1CCC2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OCC1OC(=O)CCCCC1CCSS1.CC#N.CC(C)c1c(C(=O)Cc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OCCCCO[N+](=O)[O-].CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1.COC(=O)N(CC(=O)O)[C@@H](C)c1cc(F)cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1.COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.Cc1ccc(C2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1C(C)c1ccc(-c2ccc(F)cc2)s1.c1ccc(Cc2ncc3c(n2)CCNCC3)cc1
• InChI: InChI=1S/C38H43FN2O8.C30H25F10NO3.C28H42O6S2.C25H27FO5S.C24H22F4N2O7.C18H18N2S.C15H17N3.C2H3N.CH4/c1-26(2)37-36(33(44)23-27-11-5-3-6-12-27)35(28-13-7-4-8-14-28)38(29-15-17-30(39)18-16-29)40(37)20-19-31(42)24-32(43)25-34(45)48-21-9-10-22-49-41(46)47;1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40;1-18-8-11-23-27(2,14-12-24(30)28(23,3)17-29)21(18)10-9-20-22(16-33-26(20)32)34-25(31)7-5-4-6-19-13-15-35-36-19;1-13-3-4-16(25-24(30)23(29)22(28)19(12-27)31-25)11-18(13)14(2)20-9-10-21(32-20)15-5-7-17(26)8-6-15;1-13(30(11-21(31)32)23(33)34-3)16-8-17(25)10-19(9-16)35-12-20-14(2)36-22(29-20)15-4-6-18(7-5-15)37-24(26,27)28;1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14;1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15;1-2-3;/h3-8,11-18,26,31-32,42-43H,9-10,19-25H2,1-2H3;5-12,14-15,26H,13H2,1-4H3;9,19,21-24,29-30H,1,4-8,10-17H2,2-3H3;3-11,14,19,22-25,27-30H,12H2,1-2H3;4-10,13H,11-12H2,1-3H3,(H,31,32);5-12H,3-4H2,1-2H3;1-5,11,16H,6-10H2;1H3;1H4/b;;20-9+;;;;;;/t31-,32-;15-,26-;19?,21-,22?,23?,24-,27+,28+;14?,19-,22-,23+,24?,25?;13-;;;;/m10110..../s1
• InChIKey: ODNVBABNYPBGGJ-GWEKNQAUSA-N
• XLogP: 38.99
• TPSA: 561.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 54
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3426.88
LogP ≤ 5	38.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate?

The IUPAC name of acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate (CID 159962778) is acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate.

What is the SMILES notation for acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate?

The canonical SMILES for acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate is C.C=C1CCC2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OCC1OC(=O)CCCCC1CCSS1.CC#N.CC(C)c1c(C(=O)Cc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OCCCCO[N+](=O)[O-].CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1.COC(=O)N(CC(=O)O)[C@@H](C)c1cc(F)cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1.COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.Cc1ccc(C2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1C(C)c1ccc(-c2ccc(F)cc2)s1.c1ccc(Cc2ncc3c(n2)CCNCC3)cc1.

What is the InChIKey of acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate?

The InChIKey is ODNVBABNYPBGGJ-GWEKNQAUSA-N. The full InChI is InChI=1S/C38H43FN2O8.C30H25F10NO3.C28H42O6S2.C25H27FO5S.C24H22F4N2O7.C18H18N2S.C15H17N3.C2H3N.CH4/c1-26(2)37-36(33(44)23-27-11-5-3-6-12-27)35(28-13-7-4-8-14-28)38(29-15-17-30(39)18-16-29)40(37)20-19-31(42)24-32(43)25-34(45)48-21-9-10-22-49-41(46)47;1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40;1-18-8-11-23-27(2,14-12-24(30)28(23,3)17-29)21(18)10-9-20-22(16-33-26(20)32)34-25(31)7-5-4-6-19-13-15-35-36-19;1-13-3-4-16(25-24(30)23(29)22(28)19(12-27)31-25)11-18(13)14(2)20-9-10-21(32-20)15-5-7-17(26)8-6-15;1-13(30(11-21(31)32)23(33)34-3)16-8-17(25)10-19(9-16)35-12-20-14(2)36-22(29-20)15-4-6-18(7-5-15)37-24(26,27)28;1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14;1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15;1-2-3;/h3-8,11-18,26,31-32,42-43H,9-10,19-25H2,1-2H3;5-12,14-15,26H,13H2,1-4H3;9,19,21-24,29-30H,1,4-8,10-17H2,2-3H3;3-11,14,19,22-25,27-30H,12H2,1-2H3;4-10,13H,11-12H2,1-3H3,(H,31,32);5-12H,3-4H2,1-2H3;1-5,11,16H,6-10H2;1H3;1H4/b;;20-9+;;;;;;/t31-,32-;15-,26-;19?,21-,22?,23?,24-,27+,28+;14?,19-,22-,23+,24?,25?;13-;;;;/m10110..../s1.

What are the key properties of acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate?

acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate has a molecular weight of 3426.88 g/mol, XLogP of 38.99, 54 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;methane;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate is sourced from PubChem (CID 159962778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).