CID 24828815

C25H30N3OS — CID 24828815

IUPAC—
SMILESCC1(C)CC(NCc2ccc(/C=C/c3nc4ccccc4s3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C25H30N3OS/c1-24(2)15-20(16-25(3,4)28(24)29)26-17-19-11-9-18(10-12-19)13-14-23-27-21-7-5-6-8-22(21)30-23/h5-14,20,26H,15-17H2,1-4H3/b14-13+
InChIKeyWPDFXHQNJDFYQG-BUHFOSPRSA-N
MW420.60 g/mol
LogP5.92
Rot. Bonds5

About CID 24828815

CID 24828815 (PubChem CID 24828815) has the molecular formula C25H30N3OS and a molecular weight of 420.60 g/mol.

Molecular Properties

Compound NameCID 24828815
PubChem CID24828815
Molecular FormulaC25H30N3OS
Molecular Weight420.60 g/mol
Exact Mass420.21
IUPAC Name—
SMILESCC1(C)CC(NCc2ccc(/C=C/c3nc4ccccc4s3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C25H30N3OS/c1-24(2)15-20(16-25(3,4)28(24)29)26-17-19-11-9-18(10-12-19)13-14-23-27-21-7-5-6-8-22(21)30-23/h5-14,20,26H,15-17H2,1-4H3/b14-13+
InChIKeyWPDFXHQNJDFYQG-BUHFOSPRSA-N
XLogP5.92
TPSA48.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 24828815?
The IUPAC name of CID 24828815 (CID 24828815) is not available.
What is the SMILES notation for CID 24828815?
The canonical SMILES for CID 24828815 is CC1(C)CC(NCc2ccc(/C=C/c3nc4ccccc4s3)cc2)CC(C)(C)N1[O].
What is the InChIKey of CID 24828815?
The InChIKey is WPDFXHQNJDFYQG-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H30N3OS/c1-24(2)15-20(16-25(3,4)28(24)29)26-17-19-11-9-18(10-12-19)13-14-23-27-21-7-5-6-8-22(21)30-23/h5-14,20,26H,15-17H2,1-4H3/b14-13+.
What are the key properties of CID 24828815?
CID 24828815 has a molecular weight of 420.60 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24828815 is sourced from PubChem (CID 24828815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).