3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide

C23H23NO5S — CID 59572770

IUPAC3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide
SMILESCOc1cc(OC)c(N2c3ccc(C)cc3S(=O)(=O)c3cc(C)ccc32)c(OC)c1
InChIInChI=1S/C23H23NO5S/c1-14-6-8-17-21(10-14)30(25,26)22-11-15(2)7-9-18(22)24(17)23-19(28-4)12-16(27-3)13-20(23)29-5/h6-13H,1-5H3
InChIKeyOMPRXCYKCJAHHI-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.95
Rot. Bonds4

About 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide

3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide (PubChem CID 59572770) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide
PubChem CID59572770
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide
SMILESCOc1cc(OC)c(N2c3ccc(C)cc3S(=O)(=O)c3cc(C)ccc32)c(OC)c1
InChIInChI=1S/C23H23NO5S/c1-14-6-8-17-21(10-14)30(25,26)22-11-15(2)7-9-18(22)24(17)23-19(28-4)12-16(27-3)13-20(23)29-5/h6-13H,1-5H3
InChIKeyOMPRXCYKCJAHHI-UHFFFAOYSA-N
XLogP4.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide?
The IUPAC name of 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide (CID 59572770) is 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide.
What is the SMILES notation for 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide?
The canonical SMILES for 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide is COc1cc(OC)c(N2c3ccc(C)cc3S(=O)(=O)c3cc(C)ccc32)c(OC)c1.
What is the InChIKey of 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide?
The InChIKey is OMPRXCYKCJAHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-14-6-8-17-21(10-14)30(25,26)22-11-15(2)7-9-18(22)24(17)23-19(28-4)12-16(27-3)13-20(23)29-5/h6-13H,1-5H3.
What are the key properties of 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide?
3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide has a molecular weight of 425.51 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-10-(2,4,6-trimethoxyphenyl)phenothiazine 5,5-dioxide is sourced from PubChem (CID 59572770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).