14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine

C21H17NOS — CID 160642120

IUPAC14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine
SMILESCC1(C)c2ccccc2Oc2cc3c(cc21)Sc1ccccc1N3
InChIInChI=1S/C21H17NOS/c1-21(2)13-7-3-5-9-17(13)23-18-12-16-20(11-14(18)21)24-19-10-6-4-8-15(19)22-16/h3-12,22H,1-2H3
InChIKeyRJHVEGBMJMMGTH-UHFFFAOYSA-N
MW331.44 g/mol
LogP6.33
Rot. Bonds

About 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine

14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine (PubChem CID 160642120) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine.

Molecular Properties

Compound Name14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine
PubChem CID160642120
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine
SMILESCC1(C)c2ccccc2Oc2cc3c(cc21)Sc1ccccc1N3
InChIInChI=1S/C21H17NOS/c1-21(2)13-7-3-5-9-17(13)23-18-12-16-20(11-14(18)21)24-19-10-6-4-8-15(19)22-16/h3-12,22H,1-2H3
InChIKeyRJHVEGBMJMMGTH-UHFFFAOYSA-N
XLogP6.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine?
The IUPAC name of 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine (CID 160642120) is 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine.
What is the SMILES notation for 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine?
The canonical SMILES for 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine is CC1(C)c2ccccc2Oc2cc3c(cc21)Sc1ccccc1N3.
What is the InChIKey of 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine?
The InChIKey is RJHVEGBMJMMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS/c1-21(2)13-7-3-5-9-17(13)23-18-12-16-20(11-14(18)21)24-19-10-6-4-8-15(19)22-16/h3-12,22H,1-2H3.
What are the key properties of 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine?
14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine has a molecular weight of 331.44 g/mol, XLogP of 6.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-7H-chromeno[2,3-b]phenothiazine is sourced from PubChem (CID 160642120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).