2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone

C123H104Cl2F14N22O8S6 — CID 158819672

About 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone

2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone (PubChem CID 158819672) has the molecular formula C123H104Cl2F14N22O8S6 and a molecular weight of 2547.61 g/mol. Its IUPAC name is 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
• PubChem CID: 158819672
• Molecular Formula: C123H104Cl2F14N22O8S6
• Molecular Weight: 2547.61 g/mol
• Exact Mass: 2544.59
• IUPAC Name: 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
• SMILES: C#CCOc1cnc(C(=O)Cc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@H]4C[C@H]43)c2)cn1.C#CCOc1cnc(C(=O)Cc2cc(F)c(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)cn1.CC[C@]12C[C@H]1[C@@](C)(c1cc(CC(=O)c3ccc(Cl)cn3)cc(F)c1F)N=C(N)S2.C[C@]1(c2cc(CC(=O)c3ccc(Cl)cn3)cc(F)c2F)N=C(N)S[C@H]2C[C@H]21.Cc1cc(C#N)cnc1C(=O)Cc1cc(F)c(F)c([C@@]2(CF)N=C(N)S[C@H]3C[C@H]32)c1.N#Cc1ccc(C(=O)Cc2ccc(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)nc1
• InChI: InChI=1S/C21H20ClF2N3OS.C21H17F3N4O2S.C21H17F3N4OS.C21H18F2N4O2S.C20H16F2N4OS.C19H16ClF2N3OS/c1-3-21-9-17(21)20(2,27-19(25)29-21)13-6-11(7-14(23)18(13)24)8-16(28)15-5-4-12(22)10-26-15;1-2-3-30-18-9-26-15(8-27-18)16(29)6-11-4-13(19(24)14(23)5-11)21(10-22)12-7-17(12)31-20(25)28-21;1-10-2-12(7-25)8-27-19(10)16(29)5-11-3-14(18(24)15(23)4-11)21(9-22)13-6-17(13)30-20(26)28-21;1-3-4-29-18-10-25-15(9-26-18)16(28)7-11-5-13(19(23)14(22)6-11)21(2)12-8-17(12)30-20(24)27-21;21-10-20(14-7-18(14)28-19(24)26-20)13-5-11(1-3-15(13)22)6-17(27)16-4-2-12(8-23)9-25-16;1-19(11-7-16(11)27-18(23)25-19)12-4-9(5-13(21)17(12)22)6-15(26)14-3-2-10(20)8-24-14/h4-7,10,17H,3,8-9H2,1-2H3,(H2,25,27);1,4-5,8-9,12,17H,3,6-7,10H2,(H2,25,28);2-4,8,13,17H,5-6,9H2,1H3,(H2,26,28);1,5-6,9-10,12,17H,4,7-8H2,2H3,(H2,24,27);1-5,9,14,18H,6-7,10H2,(H2,24,26);2-5,8,11,16H,6-7H2,1H3,(H2,23,25)/t17-,20+,21-;12-,17+,21+;13-,17+,21+;12-,17+,21+;14-,18+,20-;11-,16+,19+/m011111/s1
• InChIKey: IVSAEIJZAKYMOI-NXQBHKENSA-N
• XLogP: 21.36
• TPSA: 501.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2547.61
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone?

The IUPAC name of 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone (CID 158819672) is 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone.

What is the SMILES notation for 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone?

The canonical SMILES for 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone is C#CCOc1cnc(C(=O)Cc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@H]4C[C@H]43)c2)cn1.C#CCOc1cnc(C(=O)Cc2cc(F)c(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)cn1.CC[C@]12C[C@H]1[C@@](C)(c1cc(CC(=O)c3ccc(Cl)cn3)cc(F)c1F)N=C(N)S2.C[C@]1(c2cc(CC(=O)c3ccc(Cl)cn3)cc(F)c2F)N=C(N)S[C@H]2C[C@H]21.Cc1cc(C#N)cnc1C(=O)Cc1cc(F)c(F)c([C@@]2(CF)N=C(N)S[C@H]3C[C@H]32)c1.N#Cc1ccc(C(=O)Cc2ccc(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)nc1.

What is the InChIKey of 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone?

The InChIKey is IVSAEIJZAKYMOI-NXQBHKENSA-N. The full InChI is InChI=1S/C21H20ClF2N3OS.C21H17F3N4O2S.C21H17F3N4OS.C21H18F2N4O2S.C20H16F2N4OS.C19H16ClF2N3OS/c1-3-21-9-17(21)20(2,27-19(25)29-21)13-6-11(7-14(23)18(13)24)8-16(28)15-5-4-12(22)10-26-15;1-2-3-30-18-9-26-15(8-27-18)16(29)6-11-4-13(19(24)14(23)5-11)21(10-22)12-7-17(12)31-20(25)28-21;1-10-2-12(7-25)8-27-19(10)16(29)5-11-3-14(18(24)15(23)4-11)21(9-22)13-6-17(13)30-20(26)28-21;1-3-4-29-18-10-25-15(9-26-18)16(28)7-11-5-13(19(23)14(22)6-11)21(2)12-8-17(12)30-20(24)27-21;21-10-20(14-7-18(14)28-19(24)26-20)13-5-11(1-3-15(13)22)6-17(27)16-4-2-12(8-23)9-25-16;1-19(11-7-16(11)27-18(23)25-19)12-4-9(5-13(21)17(12)22)6-15(26)14-3-2-10(20)8-24-14/h4-7,10,17H,3,8-9H2,1-2H3,(H2,25,27);1,4-5,8-9,12,17H,3,6-7,10H2,(H2,25,28);2-4,8,13,17H,5-6,9H2,1H3,(H2,26,28);1,5-6,9-10,12,17H,4,7-8H2,2H3,(H2,24,27);1-5,9,14,18H,6-7,10H2,(H2,24,26);2-5,8,11,16H,6-7H2,1H3,(H2,23,25)/t17-,20+,21-;12-,17+,21+;13-,17+,21+;12-,17+,21+;14-,18+,20-;11-,16+,19+/m011111/s1.

What are the key properties of 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone?

2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone has a molecular weight of 2547.61 g/mol, XLogP of 21.36, 32 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(1S,5S,6S)-3-amino-1-ethyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(1S,5S,6S)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,5S,6S)-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone is sourced from PubChem (CID 158819672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).