(1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione

C24H15BrN2O4 — CID 15482883

IUPAC(1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione
SMILESO=C1[C@@H]2C(c3ccccc3)=NO[C@@H]2C=C2C(Br)=CC(=O)[C@]23ON=C(c2ccccc2)[C@H]13
InChIInChI=1S/C24H15BrN2O4/c25-16-12-18(28)24-15(16)11-17-19(21(26-30-17)13-7-3-1-4-8-13)23(29)20(24)22(27-31-24)14-9-5-2-6-10-14/h1-12,17,19-20H/t17-,19+,20-,24-/m1/s1
InChIKeyJBGROQLOLUOGAJ-SSYAZSBWSA-N
MW475.30 g/mol
LogP3.57
Rot. Bonds2

About (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione

(1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione (PubChem CID 15482883) has the molecular formula C24H15BrN2O4 and a molecular weight of 475.30 g/mol. Its IUPAC name is (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione.

Molecular Properties

Compound Name(1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione
PubChem CID15482883
Molecular FormulaC24H15BrN2O4
Molecular Weight475.30 g/mol
Exact Mass474.02
IUPAC Name(1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione
SMILESO=C1[C@@H]2C(c3ccccc3)=NO[C@@H]2C=C2C(Br)=CC(=O)[C@]23ON=C(c2ccccc2)[C@H]13
InChIInChI=1S/C24H15BrN2O4/c25-16-12-18(28)24-15(16)11-17-19(21(26-30-17)13-7-3-1-4-8-13)23(29)20(24)22(27-31-24)14-9-5-2-6-10-14/h1-12,17,19-20H/t17-,19+,20-,24-/m1/s1
InChIKeyJBGROQLOLUOGAJ-SSYAZSBWSA-N
XLogP3.57
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione with MolForge

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Related Compounds

11-Bromo-4-phenyl-2-oxa-3-azatricyclo[8.3.0.01,5]trideca-3,7,9,11-tetraene-6,13-dione
CID 15482882

Frequently Asked Questions

What is the IUPAC name of (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione?
The IUPAC name of (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione (CID 15482883) is (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione.
What is the SMILES notation for (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione?
The canonical SMILES for (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione is O=C1[C@@H]2C(c3ccccc3)=NO[C@@H]2C=C2C(Br)=CC(=O)[C@]23ON=C(c2ccccc2)[C@H]13.
What is the InChIKey of (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione?
The InChIKey is JBGROQLOLUOGAJ-SSYAZSBWSA-N. The full InChI is InChI=1S/C24H15BrN2O4/c25-16-12-18(28)24-15(16)11-17-19(21(26-30-17)13-7-3-1-4-8-13)23(29)20(24)22(27-31-24)14-9-5-2-6-10-14/h1-12,17,19-20H/t17-,19+,20-,24-/m1/s1.
What are the key properties of (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione?
(1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione has a molecular weight of 475.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7R,11R)-14-bromo-4,8-diphenyl-2,10-dioxa-3,9-diazatetracyclo[11.3.0.01,5.07,11]hexadeca-3,8,12,14-tetraene-6,16-dione is sourced from PubChem (CID 15482883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).