CID 7012356

C20H22N2S2 — CID 7012356

IUPAC—
SMILESCC1(C)C[C@]2(C[C@@]3(C1)Nc1ccccc1S3)Nc1ccccc1S2
InChIInChI=1S/C20H22N2S2/c1-18(2)11-19(21-14-7-3-5-9-16(14)23-19)13-20(12-18)22-15-8-4-6-10-17(15)24-20/h3-10,21-22H,11-13H2,1-2H3/t19-,20-/m0/s1
InChIKeyBYMVEACBOPPAJZ-PMACEKPBSA-N
MW354.54 g/mol
LogP6.02
Rot. Bonds

About CID 7012356

CID 7012356 (PubChem CID 7012356) has the molecular formula C20H22N2S2 and a molecular weight of 354.54 g/mol.

Molecular Properties

Compound NameCID 7012356
PubChem CID7012356
Molecular FormulaC20H22N2S2
Molecular Weight354.54 g/mol
Exact Mass354.12
IUPAC Name—
SMILESCC1(C)C[C@]2(C[C@@]3(C1)Nc1ccccc1S3)Nc1ccccc1S2
InChIInChI=1S/C20H22N2S2/c1-18(2)11-19(21-14-7-3-5-9-16(14)23-19)13-20(12-18)22-15-8-4-6-10-17(15)24-20/h3-10,21-22H,11-13H2,1-2H3/t19-,20-/m0/s1
InChIKeyBYMVEACBOPPAJZ-PMACEKPBSA-N
XLogP6.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 7012356?
The IUPAC name of CID 7012356 (CID 7012356) is not available.
What is the SMILES notation for CID 7012356?
The canonical SMILES for CID 7012356 is CC1(C)C[C@]2(C[C@@]3(C1)Nc1ccccc1S3)Nc1ccccc1S2.
What is the InChIKey of CID 7012356?
The InChIKey is BYMVEACBOPPAJZ-PMACEKPBSA-N. The full InChI is InChI=1S/C20H22N2S2/c1-18(2)11-19(21-14-7-3-5-9-16(14)23-19)13-20(12-18)22-15-8-4-6-10-17(15)24-20/h3-10,21-22H,11-13H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of CID 7012356?
CID 7012356 has a molecular weight of 354.54 g/mol, XLogP of 6.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 7012356 is sourced from PubChem (CID 7012356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).