13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione

C24H17F2NO5S — CID 59240748

IUPAC13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
SMILESCOc1cccc(Sc2c(O)c3c(=O)n4c(cc3oc2=O)C(C)(C)c2c(F)cc(F)cc2-4)c1
InChIInChI=1S/C24H17F2NO5S/c1-24(2)17-10-16-18(22(29)27(17)15-8-11(25)7-14(26)19(15)24)20(28)21(23(30)32-16)33-13-6-4-5-12(9-13)31-3/h4-10,28H,1-3H3
InChIKeyJIXMQQRQWTVVDA-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.73
Rot. Bonds3

About 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione

13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione (PubChem CID 59240748) has the molecular formula C24H17F2NO5S and a molecular weight of 469.47 g/mol. Its IUPAC name is 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione.

Molecular Properties

Compound Name13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
PubChem CID59240748
Molecular FormulaC24H17F2NO5S
Molecular Weight469.47 g/mol
Exact Mass469.08
IUPAC Name13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
SMILESCOc1cccc(Sc2c(O)c3c(=O)n4c(cc3oc2=O)C(C)(C)c2c(F)cc(F)cc2-4)c1
InChIInChI=1S/C24H17F2NO5S/c1-24(2)17-10-16-18(22(29)27(17)15-8-11(25)7-14(26)19(15)24)20(28)21(23(30)32-16)33-13-6-4-5-12(9-13)31-3/h4-10,28H,1-3H3
InChIKeyJIXMQQRQWTVVDA-UHFFFAOYSA-N
XLogP4.73
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione?
The IUPAC name of 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione (CID 59240748) is 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione.
What is the SMILES notation for 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione?
The canonical SMILES for 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione is COc1cccc(Sc2c(O)c3c(=O)n4c(cc3oc2=O)C(C)(C)c2c(F)cc(F)cc2-4)c1.
What is the InChIKey of 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione?
The InChIKey is JIXMQQRQWTVVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO5S/c1-24(2)17-10-16-18(22(29)27(17)15-8-11(25)7-14(26)19(15)24)20(28)21(23(30)32-16)33-13-6-4-5-12(9-13)31-3/h4-10,28H,1-3H3.
What are the key properties of 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione?
13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione has a molecular weight of 469.47 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13,15-difluoro-7-hydroxy-6-(3-methoxyphenyl)sulfanyl-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione is sourced from PubChem (CID 59240748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).