CID 135034205

C35H34F3N3O6 — CID 135034205

IUPAC—
SMILESCCOC(=O)[C@H]1[C@H](C(F)(F)F)N[C@]2(C(=O)N(Cc3ccccc3)c3ccc(C)cc32)[C@]12C(=O)N(C(=O)OC(C)(C)C)c1ccccc12
InChIInChI=1S/C35H34F3N3O6/c1-6-46-28(42)26-27(35(36,37)38)39-34(23-18-20(2)16-17-24(23)40(30(34)44)19-21-12-8-7-9-13-21)33(26)22-14-10-11-15-25(22)41(29(33)43)31(45)47-32(3,4)5/h7-18,26-27,39H,6,19H2,1-5H3/t26-,27-,33+,34-/m1/s1
InChIKeyUQDDVYOOOYZXIF-VHLJGYRNSA-N
MW649.67 g/mol
LogP5.67
Rot. Bonds4

About CID 135034205

CID 135034205 (PubChem CID 135034205) has the molecular formula C35H34F3N3O6 and a molecular weight of 649.67 g/mol.

Molecular Properties

Compound NameCID 135034205
PubChem CID135034205
Molecular FormulaC35H34F3N3O6
Molecular Weight649.67 g/mol
Exact Mass649.24
IUPAC Name—
SMILESCCOC(=O)[C@H]1[C@H](C(F)(F)F)N[C@]2(C(=O)N(Cc3ccccc3)c3ccc(C)cc32)[C@]12C(=O)N(C(=O)OC(C)(C)C)c1ccccc12
InChIInChI=1S/C35H34F3N3O6/c1-6-46-28(42)26-27(35(36,37)38)39-34(23-18-20(2)16-17-24(23)40(30(34)44)19-21-12-8-7-9-13-21)33(26)22-14-10-11-15-25(22)41(29(33)43)31(45)47-32(3,4)5/h7-18,26-27,39H,6,19H2,1-5H3/t26-,27-,33+,34-/m1/s1
InChIKeyUQDDVYOOOYZXIF-VHLJGYRNSA-N
XLogP5.67
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.67
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 135034205?
The IUPAC name of CID 135034205 (CID 135034205) is not available.
What is the SMILES notation for CID 135034205?
The canonical SMILES for CID 135034205 is CCOC(=O)[C@H]1[C@H](C(F)(F)F)N[C@]2(C(=O)N(Cc3ccccc3)c3ccc(C)cc32)[C@]12C(=O)N(C(=O)OC(C)(C)C)c1ccccc12.
What is the InChIKey of CID 135034205?
The InChIKey is UQDDVYOOOYZXIF-VHLJGYRNSA-N. The full InChI is InChI=1S/C35H34F3N3O6/c1-6-46-28(42)26-27(35(36,37)38)39-34(23-18-20(2)16-17-24(23)40(30(34)44)19-21-12-8-7-9-13-21)33(26)22-14-10-11-15-25(22)41(29(33)43)31(45)47-32(3,4)5/h7-18,26-27,39H,6,19H2,1-5H3/t26-,27-,33+,34-/m1/s1.
What are the key properties of CID 135034205?
CID 135034205 has a molecular weight of 649.67 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135034205 is sourced from PubChem (CID 135034205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).