CID 154677373

C34H49FN6O4Si — CID 154677373

IUPAC—
SMILESCCC(=O)N[C@@H](C(=O)NCC1CCC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)([Si]C)CC2)c(F)c1
InChIInChI=1S/C34H49FN6O4Si/c1-6-28(42)39-29(32(44)36-20-22-9-8-10-22)21(3)24-11-12-26(25(35)19-24)38-33(45)30(23-13-16-34(4,46-5)17-14-23)40-31(43)27-15-18-37-41(27)7-2/h11-12,15,18-19,21-23,29-30H,6-10,13-14,16-17,20H2,1-5H3,(H,36,44)(H,38,45)(H,39,42)(H,40,43)/t21-,23?,29+,30-,34?/m0/s1
InChIKeyYEQWNXHRDNWNNI-NJSWHUDQSA-N
MW652.89 g/mol
LogP4.81
Rot. Bonds14

About CID 154677373

CID 154677373 (PubChem CID 154677373) has the molecular formula C34H49FN6O4Si and a molecular weight of 652.89 g/mol.

Molecular Properties

Compound NameCID 154677373
PubChem CID154677373
Molecular FormulaC34H49FN6O4Si
Molecular Weight652.89 g/mol
Exact Mass652.36
IUPAC Name—
SMILESCCC(=O)N[C@@H](C(=O)NCC1CCC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)([Si]C)CC2)c(F)c1
InChIInChI=1S/C34H49FN6O4Si/c1-6-28(42)39-29(32(44)36-20-22-9-8-10-22)21(3)24-11-12-26(25(35)19-24)38-33(45)30(23-13-16-34(4,46-5)17-14-23)40-31(43)27-15-18-37-41(27)7-2/h11-12,15,18-19,21-23,29-30H,6-10,13-14,16-17,20H2,1-5H3,(H,36,44)(H,38,45)(H,39,42)(H,40,43)/t21-,23?,29+,30-,34?/m0/s1
InChIKeyYEQWNXHRDNWNNI-NJSWHUDQSA-N
XLogP4.81
TPSA134.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.89
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154677373?
The IUPAC name of CID 154677373 (CID 154677373) is not available.
What is the SMILES notation for CID 154677373?
The canonical SMILES for CID 154677373 is CCC(=O)N[C@@H](C(=O)NCC1CCC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)([Si]C)CC2)c(F)c1.
What is the InChIKey of CID 154677373?
The InChIKey is YEQWNXHRDNWNNI-NJSWHUDQSA-N. The full InChI is InChI=1S/C34H49FN6O4Si/c1-6-28(42)39-29(32(44)36-20-22-9-8-10-22)21(3)24-11-12-26(25(35)19-24)38-33(45)30(23-13-16-34(4,46-5)17-14-23)40-31(43)27-15-18-37-41(27)7-2/h11-12,15,18-19,21-23,29-30H,6-10,13-14,16-17,20H2,1-5H3,(H,36,44)(H,38,45)(H,39,42)(H,40,43)/t21-,23?,29+,30-,34?/m0/s1.
What are the key properties of CID 154677373?
CID 154677373 has a molecular weight of 652.89 g/mol, XLogP of 4.81, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154677373 is sourced from PubChem (CID 154677373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).