trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane

C24H30F3N3O4SSi — CID 151628875

IUPACtrimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane
SMILESCc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)Oc3nc4c(ccn4COCC[Si](C)(C)C)cc32)cc1
InChIInChI=1S/C24H30F3N3O4SSi/c1-17-5-7-19(8-6-17)35(31,32)30-12-10-21(24(25,26)27)34-23-20(30)15-18-9-11-29(22(18)28-23)16-33-13-14-36(2,3)4/h5-9,11,15,21H,10,12-14,16H2,1-4H3
InChIKeyQQBVOUGNVLROJS-UHFFFAOYSA-N
MW541.67 g/mol
LogP5.57
Rot. Bonds7

About trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane

trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane (PubChem CID 151628875) has the molecular formula C24H30F3N3O4SSi and a molecular weight of 541.67 g/mol. Its IUPAC name is trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane
PubChem CID151628875
Molecular FormulaC24H30F3N3O4SSi
Molecular Weight541.67 g/mol
Exact Mass541.17
IUPAC Nametrimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane
SMILESCc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)Oc3nc4c(ccn4COCC[Si](C)(C)C)cc32)cc1
InChIInChI=1S/C24H30F3N3O4SSi/c1-17-5-7-19(8-6-17)35(31,32)30-12-10-21(24(25,26)27)34-23-20(30)15-18-9-11-29(22(18)28-23)16-33-13-14-36(2,3)4/h5-9,11,15,21H,10,12-14,16H2,1-4H3
InChIKeyQQBVOUGNVLROJS-UHFFFAOYSA-N
XLogP5.57
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.67
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane (CID 151628875) is trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane is Cc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)Oc3nc4c(ccn4COCC[Si](C)(C)C)cc32)cc1.
What is the InChIKey of trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane?
The InChIKey is QQBVOUGNVLROJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O4SSi/c1-17-5-7-19(8-6-17)35(31,32)30-12-10-21(24(25,26)27)34-23-20(30)15-18-9-11-29(22(18)28-23)16-33-13-14-36(2,3)4/h5-9,11,15,21H,10,12-14,16H2,1-4H3.
What are the key properties of trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane?
trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane has a molecular weight of 541.67 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[10-(4-methylphenyl)sulfonyl-13-(trifluoromethyl)-14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-4-yl]methoxy]ethyl]silane is sourced from PubChem (CID 151628875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).