tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane

C33H39N5O4SSi — CID 58382240

IUPACtert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc2c(c1)c(-c1cc3c4c(cnc3n1S(=O)(=O)c1ccc(C)cc1)cnn4C)cn2CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H39N5O4SSi/c1-22-9-12-25(13-10-22)43(39,40)38-30(18-27-31-23(19-34-32(27)38)20-35-36(31)5)28-21-37(15-16-42-44(7,8)33(2,3)4)29-14-11-24(41-6)17-26(28)29/h9-14,17-21H,15-16H2,1-8H3
InChIKeyHDBRCSOVCIDFBA-UHFFFAOYSA-N
MW629.86 g/mol
LogP7.12
Rot. Bonds8

About tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane (PubChem CID 58382240) has the molecular formula C33H39N5O4SSi and a molecular weight of 629.86 g/mol. Its IUPAC name is tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane
PubChem CID58382240
Molecular FormulaC33H39N5O4SSi
Molecular Weight629.86 g/mol
Exact Mass629.25
IUPAC Nametert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc2c(c1)c(-c1cc3c4c(cnc3n1S(=O)(=O)c1ccc(C)cc1)cnn4C)cn2CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H39N5O4SSi/c1-22-9-12-25(13-10-22)43(39,40)38-30(18-27-31-23(19-34-32(27)38)20-35-36(31)5)28-21-37(15-16-42-44(7,8)33(2,3)4)29-14-11-24(41-6)17-26(28)29/h9-14,17-21H,15-16H2,1-8H3
InChIKeyHDBRCSOVCIDFBA-UHFFFAOYSA-N
XLogP7.12
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.86
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane (CID 58382240) is tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane is COc1ccc2c(c1)c(-c1cc3c4c(cnc3n1S(=O)(=O)c1ccc(C)cc1)cnn4C)cn2CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane?
The InChIKey is HDBRCSOVCIDFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O4SSi/c1-22-9-12-25(13-10-22)43(39,40)38-30(18-27-31-23(19-34-32(27)38)20-35-36(31)5)28-21-37(15-16-42-44(7,8)33(2,3)4)29-14-11-24(41-6)17-26(28)29/h9-14,17-21H,15-16H2,1-8H3.
What are the key properties of tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane has a molecular weight of 629.86 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[5-methoxy-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 58382240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).