[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid

C133H159F5N14O27S3 — CID 160691454

IUPAC[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid
SMILESC=CCCCC(=O)N(C)C1CCCCn2c1nc(C(=O)CCc1ccc(F)cc1C=C)c(OS(C)(=O)=O)c2=O.C=CCCCC(=O)O.C=Cc1cc(F)ccc1CCC(=O)c1nc2n(c(=O)c1OS(C)(=O)=O)CCCCC2CC.CN1C(=O)CCC/C=C\c2cc(F)ccc2CCC(=O)c2nc3n(c(=O)c2O)CCCCC31.CN1C(=O)CCC/C=C\c2cc(F)ccc2CCC(=O)c2nc3n(c(=O)c2OS(C)(=O)=O)CCCCC31.CN1C(=O)CCCCCc2cc(F)ccc2CCC(=O)c2nc3n(c(=O)c2O)CCCCC31
InChIInChI=1S/C28H34FN3O6S.C26H30FN3O6S.C25H30FN3O4.C25H28FN3O4.C23H27FN2O5S.C6H10O2/c1-5-7-8-12-24(34)31(3)22-11-9-10-17-32-27(22)30-25(26(28(32)35)38-39(4,36)37)23(33)16-14-20-13-15-21(29)18-19(20)6-2;1-29-20-9-6-7-15-30-25(20)28-23(24(26(30)33)36-37(2,34)35)21(31)14-12-17-11-13-19(27)16-18(17)8-4-3-5-10-22(29)32;2*1-28-19-8-5-6-14-29-24(19)27-22(23(32)25(29)33)20(30)13-11-16-10-12-18(26)15-17(16)7-3-2-4-9-21(28)31;1-4-15-8-6-7-13-26-22(15)25-20(21(23(26)28)31-32(3,29)30)19(27)12-10-17-9-11-18(24)14-16(17)5-2;1-2-3-4-5-6(7)8/h5-6,13,15,18,22H,1-2,7-12,14,16-17H2,3-4H3;4,8,11,13,16,20H,3,5-7,9-10,12,14-15H2,1-2H3;10,12,15,19,32H,2-9,11,13-14H2,1H3;3,7,10,12,15,19,32H,2,4-6,8-9,11,13-14H2,1H3;5,9,11,14-15H,2,4,6-8,10,12-13H2,1,3H3;2H,1,3-5H2,(H,7,8)/b;8-4-;;7-3-;;
InChIKeyRPLNPIFTBCRXGN-BAQFAYPESA-N
MW2577.00 g/mol
LogP20.41
Rot. Bonds26

About [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid

[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid (PubChem CID 160691454) has the molecular formula C133H159F5N14O27S3 and a molecular weight of 2577.00 g/mol. Its IUPAC name is [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid.

Molecular Properties

Compound Name[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid
PubChem CID160691454
Molecular FormulaC133H159F5N14O27S3
Molecular Weight2577.00 g/mol
Exact Mass2575.06
IUPAC Name[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid
SMILESC=CCCCC(=O)N(C)C1CCCCn2c1nc(C(=O)CCc1ccc(F)cc1C=C)c(OS(C)(=O)=O)c2=O.C=CCCCC(=O)O.C=Cc1cc(F)ccc1CCC(=O)c1nc2n(c(=O)c1OS(C)(=O)=O)CCCCC2CC.CN1C(=O)CCC/C=C\c2cc(F)ccc2CCC(=O)c2nc3n(c(=O)c2O)CCCCC31.CN1C(=O)CCC/C=C\c2cc(F)ccc2CCC(=O)c2nc3n(c(=O)c2OS(C)(=O)=O)CCCCC31.CN1C(=O)CCCCCc2cc(F)ccc2CCC(=O)c2nc3n(c(=O)c2O)CCCCC31
InChIInChI=1S/C28H34FN3O6S.C26H30FN3O6S.C25H30FN3O4.C25H28FN3O4.C23H27FN2O5S.C6H10O2/c1-5-7-8-12-24(34)31(3)22-11-9-10-17-32-27(22)30-25(26(28(32)35)38-39(4,36)37)23(33)16-14-20-13-15-21(29)18-19(20)6-2;1-29-20-9-6-7-15-30-25(20)28-23(24(26(30)33)36-37(2,34)35)21(31)14-12-17-11-13-19(27)16-18(17)8-4-3-5-10-22(29)32;2*1-28-19-8-5-6-14-29-24(19)27-22(23(32)25(29)33)20(30)13-11-16-10-12-18(26)15-17(16)7-3-2-4-9-21(28)31;1-4-15-8-6-7-13-26-22(15)25-20(21(23(26)28)31-32(3,29)30)19(27)12-10-17-9-11-18(24)14-16(17)5-2;1-2-3-4-5-6(7)8/h5-6,13,15,18,22H,1-2,7-12,14,16-17H2,3-4H3;4,8,11,13,16,20H,3,5-7,9-10,12,14-15H2,1-2H3;10,12,15,19,32H,2-9,11,13-14H2,1H3;3,7,10,12,15,19,32H,2,4-6,8-9,11,13-14H2,1H3;5,9,11,14-15H,2,4,6-8,10,12-13H2,1,3H3;2H,1,3-5H2,(H,7,8)/b;8-4-;;7-3-;;
InChIKeyRPLNPIFTBCRXGN-BAQFAYPESA-N
XLogP20.41
TPSA548.91 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002577.00
LogP ≤ 520.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid?
The IUPAC name of [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid (CID 160691454) is [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid.
What is the SMILES notation for [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid?
The canonical SMILES for [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid is C=CCCCC(=O)N(C)C1CCCCn2c1nc(C(=O)CCc1ccc(F)cc1C=C)c(OS(C)(=O)=O)c2=O.C=CCCCC(=O)O.C=Cc1cc(F)ccc1CCC(=O)c1nc2n(c(=O)c1OS(C)(=O)=O)CCCCC2CC.CN1C(=O)CCC/C=C\c2cc(F)ccc2CCC(=O)c2nc3n(c(=O)c2O)CCCCC31.CN1C(=O)CCC/C=C\c2cc(F)ccc2CCC(=O)c2nc3n(c(=O)c2OS(C)(=O)=O)CCCCC31.CN1C(=O)CCCCCc2cc(F)ccc2CCC(=O)c2nc3n(c(=O)c2O)CCCCC31.
What is the InChIKey of [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid?
The InChIKey is RPLNPIFTBCRXGN-BAQFAYPESA-N. The full InChI is InChI=1S/C28H34FN3O6S.C26H30FN3O6S.C25H30FN3O4.C25H28FN3O4.C23H27FN2O5S.C6H10O2/c1-5-7-8-12-24(34)31(3)22-11-9-10-17-32-27(22)30-25(26(28(32)35)38-39(4,36)37)23(33)16-14-20-13-15-21(29)18-19(20)6-2;1-29-20-9-6-7-15-30-25(20)28-23(24(26(30)33)36-37(2,34)35)21(31)14-12-17-11-13-19(27)16-18(17)8-4-3-5-10-22(29)32;2*1-28-19-8-5-6-14-29-24(19)27-22(23(32)25(29)33)20(30)13-11-16-10-12-18(26)15-17(16)7-3-2-4-9-21(28)31;1-4-15-8-6-7-13-26-22(15)25-20(21(23(26)28)31-32(3,29)30)19(27)12-10-17-9-11-18(24)14-16(17)5-2;1-2-3-4-5-6(7)8/h5-6,13,15,18,22H,1-2,7-12,14,16-17H2,3-4H3;4,8,11,13,16,20H,3,5-7,9-10,12,14-15H2,1-2H3;10,12,15,19,32H,2-9,11,13-14H2,1H3;3,7,10,12,15,19,32H,2,4-6,8-9,11,13-14H2,1H3;5,9,11,14-15H,2,4,6-8,10,12-13H2,1,3H3;2H,1,3-5H2,(H,7,8)/b;8-4-;;7-3-;;.
What are the key properties of [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid?
[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid has a molecular weight of 2577.00 g/mol, XLogP of 20.41, 26 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-ethyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;[2-[3-(2-ethenyl-4-fluorophenyl)propanoyl]-10-[hex-5-enoyl(methyl)amino]-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-3-yl] methanesulfonate;(11E)-8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaene-2,16,24-trione;8-fluoro-25-hydroxy-17-methyl-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,26-pentaene-2,16,24-trione;[(11E)-8-fluoro-17-methyl-2,16,24-trioxo-17,23,26-triazatetracyclo[16.7.2.05,10.023,27]heptacosa-1(25),5(10),6,8,11,26-hexaen-25-yl] methanesulfonate;hex-5-enoic acid is sourced from PubChem (CID 160691454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).