CID 58281286

C22H22Cl3N3 — CID 58281286

IUPAC—
SMILES[CH]CC1CCN(c2cc(C)nc3c2c(C)cn3-c2c(Cl)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H22Cl3N3/c1-4-15-5-7-27(8-6-15)19-9-14(3)26-22-20(19)13(2)12-28(22)21-17(24)10-16(23)11-18(21)25/h1,9-12,15H,4-8H2,2-3H3
InChIKeyUVDZNVVAMIQHBN-UHFFFAOYSA-N
MW434.80 g/mol
LogP6.92
Rot. Bonds3

About CID 58281286

CID 58281286 (PubChem CID 58281286) has the molecular formula C22H22Cl3N3 and a molecular weight of 434.80 g/mol.

Molecular Properties

Compound NameCID 58281286
PubChem CID58281286
Molecular FormulaC22H22Cl3N3
Molecular Weight434.80 g/mol
Exact Mass433.09
IUPAC Name—
SMILES[CH]CC1CCN(c2cc(C)nc3c2c(C)cn3-c2c(Cl)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H22Cl3N3/c1-4-15-5-7-27(8-6-15)19-9-14(3)26-22-20(19)13(2)12-28(22)21-17(24)10-16(23)11-18(21)25/h1,9-12,15H,4-8H2,2-3H3
InChIKeyUVDZNVVAMIQHBN-UHFFFAOYSA-N
XLogP6.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58281286?
The IUPAC name of CID 58281286 (CID 58281286) is not available.
What is the SMILES notation for CID 58281286?
The canonical SMILES for CID 58281286 is [CH]CC1CCN(c2cc(C)nc3c2c(C)cn3-c2c(Cl)cc(Cl)cc2Cl)CC1.
What is the InChIKey of CID 58281286?
The InChIKey is UVDZNVVAMIQHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl3N3/c1-4-15-5-7-27(8-6-15)19-9-14(3)26-22-20(19)13(2)12-28(22)21-17(24)10-16(23)11-18(21)25/h1,9-12,15H,4-8H2,2-3H3.
What are the key properties of CID 58281286?
CID 58281286 has a molecular weight of 434.80 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58281286 is sourced from PubChem (CID 58281286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).