CID 11990887

C25H24N3S — CID 11990887

IUPAC—
SMILESCCCCN1c2ccccc2Sc2cc(-c3cc([C]4[CH][CH][CH][CH]4)n(C)n3)ccc21
InChIInChI=1S/C25H24N3S/c1-3-4-15-28-21-11-7-8-12-24(21)29-25-16-19(13-14-22(25)28)20-17-23(27(2)26-20)18-9-5-6-10-18/h5-14,16-17H,3-4,15H2,1-2H3
InChIKeyBZCOGRMLXVOWCB-UHFFFAOYSA-N
MW398.56 g/mol
LogP6.24
Rot. Bonds5

About CID 11990887

CID 11990887 (PubChem CID 11990887) has the molecular formula C25H24N3S and a molecular weight of 398.56 g/mol.

Molecular Properties

Compound NameCID 11990887
PubChem CID11990887
Molecular FormulaC25H24N3S
Molecular Weight398.56 g/mol
Exact Mass398.17
IUPAC Name—
SMILESCCCCN1c2ccccc2Sc2cc(-c3cc([C]4[CH][CH][CH][CH]4)n(C)n3)ccc21
InChIInChI=1S/C25H24N3S/c1-3-4-15-28-21-11-7-8-12-24(21)29-25-16-19(13-14-22(25)28)20-17-23(27(2)26-20)18-9-5-6-10-18/h5-14,16-17H,3-4,15H2,1-2H3
InChIKeyBZCOGRMLXVOWCB-UHFFFAOYSA-N
XLogP6.24
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.56
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 11990887?
The IUPAC name of CID 11990887 (CID 11990887) is not available.
What is the SMILES notation for CID 11990887?
The canonical SMILES for CID 11990887 is CCCCN1c2ccccc2Sc2cc(-c3cc([C]4[CH][CH][CH][CH]4)n(C)n3)ccc21.
What is the InChIKey of CID 11990887?
The InChIKey is BZCOGRMLXVOWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N3S/c1-3-4-15-28-21-11-7-8-12-24(21)29-25-16-19(13-14-22(25)28)20-17-23(27(2)26-20)18-9-5-6-10-18/h5-14,16-17H,3-4,15H2,1-2H3.
What are the key properties of CID 11990887?
CID 11990887 has a molecular weight of 398.56 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11990887 is sourced from PubChem (CID 11990887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).