4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

C32H43Cl2N7O2Si2 — CID 71202710

IUPAC4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESC[Si](C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC([Si](C)(C)C)CC2
InChIInChI=1S/C32H43Cl2N7O2Si2/c1-44(2,3)16-13-27(21-7-9-22(10-8-21)30(42)35-20-28-37-39-40-38-28)41-31(43)29(23-17-24(33)19-25(34)18-23)36-32(41)14-11-26(12-15-32)45(4,5)6/h7-10,17-19,26-27H,11-16,20H2,1-6H3,(H,35,42)(H,37,38,39,40)/t26?,27-,32?/m1/s1
InChIKeyZELWRFQYKCFPKT-OYUWRPJOSA-N
MW684.82 g/mol
LogP7.52
Rot. Bonds10

About 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 71202710) has the molecular formula C32H43Cl2N7O2Si2 and a molecular weight of 684.82 g/mol. Its IUPAC name is 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID71202710
Molecular FormulaC32H43Cl2N7O2Si2
Molecular Weight684.82 g/mol
Exact Mass683.24
IUPAC Name4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESC[Si](C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC([Si](C)(C)C)CC2
InChIInChI=1S/C32H43Cl2N7O2Si2/c1-44(2,3)16-13-27(21-7-9-22(10-8-21)30(42)35-20-28-37-39-40-38-28)41-31(43)29(23-17-24(33)19-25(34)18-23)36-32(41)14-11-26(12-15-32)45(4,5)6/h7-10,17-19,26-27H,11-16,20H2,1-6H3,(H,35,42)(H,37,38,39,40)/t26?,27-,32?/m1/s1
InChIKeyZELWRFQYKCFPKT-OYUWRPJOSA-N
XLogP7.52
TPSA116.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.82
LogP ≤ 57.52
H-Bond Donors ≤ 52
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 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 71202710) is 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is C[Si](C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC([Si](C)(C)C)CC2.
What is the InChIKey of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is ZELWRFQYKCFPKT-OYUWRPJOSA-N. The full InChI is InChI=1S/C32H43Cl2N7O2Si2/c1-44(2,3)16-13-27(21-7-9-22(10-8-21)30(42)35-20-28-37-39-40-38-28)41-31(43)29(23-17-24(33)19-25(34)18-23)36-32(41)14-11-26(12-15-32)45(4,5)6/h7-10,17-19,26-27H,11-16,20H2,1-6H3,(H,35,42)(H,37,38,39,40)/t26?,27-,32?/m1/s1.
What are the key properties of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 684.82 g/mol, XLogP of 7.52, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-3-trimethylsilylpropyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 71202710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).