(11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene

C124H127ClF3N35O9 — CID 159025444

About (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene

(11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene (PubChem CID 159025444) has the molecular formula C124H127ClF3N35O9 and a molecular weight of 2344.06 g/mol. Its IUPAC name is (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene.

Molecular Properties

• Compound Name: (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene
• PubChem CID: 159025444
• Molecular Formula: C124H127ClF3N35O9
• Molecular Weight: 2344.06 g/mol
• Exact Mass: 2342.02
• IUPAC Name: (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene
• SMILES: CCN1Cc2c(ccc(F)c2Cl)O[C@@H](C)CNC(=O)c2c(C)nn3ccc1nc23.[C-]#[N+]c1c(F)ccc2c1CN(CC)c1ccn3nc(C)c(c3n1)C(=O)NC[C@H](C)O2.[C-]#[N+]c1c(F)ccc2c1CN(CC)c1ccn3ncc(c3n1)C(=C)NC[C@H](C)O2.[C-]#[N+]c1cccc2c1CN(CC)c1ccn3nc(C)c(c3n1)C(=O)NC[C@H](C)O2.[C-]#[N+]c1cccc2c1CN(CC)c1ccn3ncc(c3n1)C(=C)NCCO2.[C-]#[N+]c1cccc2c1CN(CC)c1ccn3ncc(c3n1)C(=C)NC[C@H](C)O2
• InChI: InChI=1S/C21H21FN6O2.C21H21FN6O.C21H22N6O2.C21H22N6O.C20H21ClFN5O2.C20H20N6O/c1-5-27-11-14-16(7-6-15(22)19(14)23-4)30-12(2)10-24-21(29)18-13(3)26-28-9-8-17(27)25-20(18)28;1-5-27-12-16-18(7-6-17(22)20(16)23-4)29-13(2)10-24-14(3)15-11-25-28-9-8-19(27)26-21(15)28;1-5-26-12-15-16(22-4)7-6-8-17(15)29-13(2)11-23-21(28)19-14(3)25-27-10-9-18(26)24-20(19)27;1-5-26-13-17-18(22-4)7-6-8-19(17)28-14(2)11-23-15(3)16-12-24-27-10-9-20(26)25-21(16)27;1-4-26-10-13-15(6-5-14(22)18(13)21)29-11(2)9-23-20(28)17-12(3)25-27-8-7-16(26)24-19(17)27;1-4-25-13-16-17(21-3)6-5-7-18(16)27-11-9-22-14(2)15-12-23-26-10-8-19(25)24-20(15)26/h6-9,12H,5,10-11H2,1-3H3,(H,24,29);6-9,11,13,24H,3,5,10,12H2,1-2H3;6-10,13H,5,11-12H2,1-3H3,(H,23,28);6-10,12,14,23H,3,5,11,13H2,1-2H3;5-8,11H,4,9-10H2,1-3H3,(H,23,28);5-8,10,12,22H,2,4,9,11,13H2,1H3/t12-;2*13-;14-;11-;/m00000./s1
• InChIKey: JUFLXDXOPRSVQQ-WEYFRJODSA-N
• XLogP: 20.45
• TPSA: 401.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 6
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.06
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene?

The IUPAC name of (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene (CID 159025444) is (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene.

What is the SMILES notation for (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene?

The canonical SMILES for (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene is CCN1Cc2c(ccc(F)c2Cl)O[C@@H](C)CNC(=O)c2c(C)nn3ccc1nc23.[C-]#[N+]c1c(F)ccc2c1CN(CC)c1ccn3nc(C)c(c3n1)C(=O)NC[C@H](C)O2.[C-]#[N+]c1c(F)ccc2c1CN(CC)c1ccn3ncc(c3n1)C(=C)NC[C@H](C)O2.[C-]#[N+]c1cccc2c1CN(CC)c1ccn3nc(C)c(c3n1)C(=O)NC[C@H](C)O2.[C-]#[N+]c1cccc2c1CN(CC)c1ccn3ncc(c3n1)C(=C)NCCO2.[C-]#[N+]c1cccc2c1CN(CC)c1ccn3ncc(c3n1)C(=C)NC[C@H](C)O2.

What is the InChIKey of (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene?

The InChIKey is JUFLXDXOPRSVQQ-WEYFRJODSA-N. The full InChI is InChI=1S/C21H21FN6O2.C21H21FN6O.C21H22N6O2.C21H22N6O.C20H21ClFN5O2.C20H20N6O/c1-5-27-11-14-16(7-6-15(22)19(14)23-4)30-12(2)10-24-21(29)18-13(3)26-28-9-8-17(27)25-20(18)28;1-5-27-12-16-18(7-6-17(22)20(16)23-4)29-13(2)10-24-14(3)15-11-25-28-9-8-19(27)26-21(15)28;1-5-26-12-15-16(22-4)7-6-8-17(15)29-13(2)11-23-21(28)19-14(3)25-27-10-9-18(26)24-20(19)27;1-5-26-13-17-18(22-4)7-6-8-19(17)28-14(2)11-23-15(3)16-12-24-27-10-9-20(26)25-21(16)27;1-4-26-10-13-15(6-5-14(22)18(13)21)29-11(2)9-23-20(28)17-12(3)25-27-8-7-16(26)24-19(17)27;1-4-25-13-16-17(21-3)6-5-7-18(16)27-11-9-22-14(2)15-12-23-26-10-8-19(25)24-20(15)26/h6-9,12H,5,10-11H2,1-3H3,(H,24,29);6-9,11,13,24H,3,5,10,12H2,1-2H3;6-10,13H,5,11-12H2,1-3H3,(H,23,28);6-10,12,14,23H,3,5,11,13H2,1-2H3;5-8,11H,4,9-10H2,1-3H3,(H,23,28);5-8,10,12,22H,2,4,9,11,13H2,1H3/t12-;2*13-;14-;11-;/m00000./s1.

What are the key properties of (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene?

(11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene has a molecular weight of 2344.06 g/mol, XLogP of 20.45, 6 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (11S)-5-chloro-2-ethyl-6-fluoro-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;(11S)-2-ethyl-6-fluoro-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11,16-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one;2-ethyl-5-isocyano-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene;(11S)-2-ethyl-5-isocyano-11-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene is sourced from PubChem (CID 159025444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).