CID 153351070

C25H36GeN5O2S — CID 153351070

IUPAC—
SMILESC=C/C=C(\C=C)SNC(=O)c1ccc(-n2ccc(=O)[nH]2)nc1N1CC(C)CC1(C)C.C[Ge](C)C
InChIInChI=1S/C22H27N5O2S.C3H9Ge/c1-6-8-16(7-2)30-25-21(29)17-9-10-18(27-12-11-19(28)24-27)23-20(17)26-14-15(3)13-22(26,4)5;1-4(2)3/h6-12,15H,1-2,13-14H2,3-5H3,(H,24,28)(H,25,29);1-3H3/b16-8+;
InChIKeyBWCWRYDEHBPZGD-OHGISNTKSA-N
MW543.27 g/mol
LogP5.19
Rot. Bonds7

About CID 153351070

CID 153351070 (PubChem CID 153351070) has the molecular formula C25H36GeN5O2S and a molecular weight of 543.27 g/mol.

Molecular Properties

Compound NameCID 153351070
PubChem CID153351070
Molecular FormulaC25H36GeN5O2S
Molecular Weight543.27 g/mol
Exact Mass544.18
IUPAC Name—
SMILESC=C/C=C(\C=C)SNC(=O)c1ccc(-n2ccc(=O)[nH]2)nc1N1CC(C)CC1(C)C.C[Ge](C)C
InChIInChI=1S/C22H27N5O2S.C3H9Ge/c1-6-8-16(7-2)30-25-21(29)17-9-10-18(27-12-11-19(28)24-27)23-20(17)26-14-15(3)13-22(26,4)5;1-4(2)3/h6-12,15H,1-2,13-14H2,3-5H3,(H,24,28)(H,25,29);1-3H3/b16-8+;
InChIKeyBWCWRYDEHBPZGD-OHGISNTKSA-N
XLogP5.19
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.27
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153351070?
The IUPAC name of CID 153351070 (CID 153351070) is not available.
What is the SMILES notation for CID 153351070?
The canonical SMILES for CID 153351070 is C=C/C=C(\C=C)SNC(=O)c1ccc(-n2ccc(=O)[nH]2)nc1N1CC(C)CC1(C)C.C[Ge](C)C.
What is the InChIKey of CID 153351070?
The InChIKey is BWCWRYDEHBPZGD-OHGISNTKSA-N. The full InChI is InChI=1S/C22H27N5O2S.C3H9Ge/c1-6-8-16(7-2)30-25-21(29)17-9-10-18(27-12-11-19(28)24-27)23-20(17)26-14-15(3)13-22(26,4)5;1-4(2)3/h6-12,15H,1-2,13-14H2,3-5H3,(H,24,28)(H,25,29);1-3H3/b16-8+;.
What are the key properties of CID 153351070?
CID 153351070 has a molecular weight of 543.27 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153351070 is sourced from PubChem (CID 153351070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).