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

C23H15F2NO4S — CID 59240802

IUPAC13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
SMILESCC1(C)c2c(F)cc(F)cc2-n2c1cc1oc(=O)c(Sc3ccccc3)c(O)c1c2=O
InChIInChI=1S/C23H15F2NO4S/c1-23(2)16-10-15-17(21(28)26(16)14-9-11(24)8-13(25)18(14)23)19(27)20(22(29)30-15)31-12-6-4-3-5-7-12/h3-10,27H,1-2H3
InChIKeySAULBANAOTZERM-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.72
Rot. Bonds2

About 13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-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-17,17-dimethyl-6-phenylsulfanyl-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 59240802) has the molecular formula C23H15F2NO4S and a molecular weight of 439.44 g/mol. Its IUPAC name is 13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-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-17,17-dimethyl-6-phenylsulfanyl-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 CID59240802
Molecular FormulaC23H15F2NO4S
Molecular Weight439.44 g/mol
Exact Mass439.07
IUPAC Name13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
SMILESCC1(C)c2c(F)cc(F)cc2-n2c1cc1oc(=O)c(Sc3ccccc3)c(O)c1c2=O
InChIInChI=1S/C23H15F2NO4S/c1-23(2)16-10-15-17(21(28)26(16)14-9-11(24)8-13(25)18(14)23)19(27)20(22(29)30-15)31-12-6-4-3-5-7-12/h3-10,27H,1-2H3
InChIKeySAULBANAOTZERM-UHFFFAOYSA-N
XLogP4.72
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-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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Launch Full Analysis

Related Compounds

4-Hydroxy-11,11-dimethyl-2H-pyrano[2',3':4,5]pyrido[1,2-A]indole-2,5(11H)-dione
CID 54677760
13,15-Dichloro-6-(3-fluorophenyl)sulfanyl-7-hydroxy-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 54748985
14-Bromo-7-hydroxy-6-[2-(trifluoromethyl)phenyl]sulfanylspiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240744
14-Chloro-6-(2-fluorophenyl)sulfanyl-7-hydroxy-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 59240745
13,15-Difluoro-7-hydroxy-17,17-dimethyl-6-[3-(trifluoromethyl)phenyl]sulfanyl-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 59240746
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
6-(2-Fluorophenyl)sulfanyl-7-hydroxy-14-(trifluoromethyl)spiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240762
14-Fluoro-7-hydroxy-6-(4-methylphenyl)sulfanylspiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240765
4-Fluoro-15-(3-fluorophenyl)sulfanyl-16-hydroxy-19-phenyl-13-oxa-19-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),15-hexaene-14,18-dione
CID 59240768
6-(4-Fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
CID 59240777
14-Fluoro-6-(3-fluorophenyl)sulfanyl-7-hydroxyspiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240784
6-(3-Chlorophenyl)sulfanyl-7-hydroxy-14-(trifluoromethyl)spiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240800

Frequently Asked Questions

What is the IUPAC name of 13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-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-17,17-dimethyl-6-phenylsulfanyl-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 59240802) is 13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-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-17,17-dimethyl-6-phenylsulfanyl-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-17,17-dimethyl-6-phenylsulfanyl-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 CC1(C)c2c(F)cc(F)cc2-n2c1cc1oc(=O)c(Sc3ccccc3)c(O)c1c2=O.
What is the InChIKey of 13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-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 SAULBANAOTZERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO4S/c1-23(2)16-10-15-17(21(28)26(16)14-9-11(24)8-13(25)18(14)23)19(27)20(22(29)30-15)31-12-6-4-3-5-7-12/h3-10,27H,1-2H3.
What are the key properties of 13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-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-17,17-dimethyl-6-phenylsulfanyl-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 439.44 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13,15-difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-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 59240802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).