7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one

C18H13Cl2NOS — CID 10832464

IUPAC7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccc(Cl)cc2)CC2=C1Sc1cc(Cl)ccc1N2
InChIInChI=1S/C18H13Cl2NOS/c19-12-3-1-10(2-4-12)11-7-15-18(16(22)8-11)23-17-9-13(20)5-6-14(17)21-15/h1-6,9,11,21H,7-8H2
InChIKeyPYTWLOAWIQCVEZ-UHFFFAOYSA-N
MW362.28 g/mol
LogP5.87
Rot. Bonds1

About 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one

7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one (PubChem CID 10832464) has the molecular formula C18H13Cl2NOS and a molecular weight of 362.28 g/mol. Its IUPAC name is 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one.

Molecular Properties

Compound Name7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
PubChem CID10832464
Molecular FormulaC18H13Cl2NOS
Molecular Weight362.28 g/mol
Exact Mass361.01
IUPAC Name7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccc(Cl)cc2)CC2=C1Sc1cc(Cl)ccc1N2
InChIInChI=1S/C18H13Cl2NOS/c19-12-3-1-10(2-4-12)11-7-15-18(16(22)8-11)23-17-9-13(20)5-6-14(17)21-15/h1-6,9,11,21H,7-8H2
InChIKeyPYTWLOAWIQCVEZ-UHFFFAOYSA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.28
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_66_one(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The IUPAC name of 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one (CID 10832464) is 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one.
What is the SMILES notation for 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The canonical SMILES for 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one is O=C1CC(c2ccc(Cl)cc2)CC2=C1Sc1cc(Cl)ccc1N2.
What is the InChIKey of 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The InChIKey is PYTWLOAWIQCVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NOS/c19-12-3-1-10(2-4-12)11-7-15-18(16(22)8-11)23-17-9-13(20)5-6-14(17)21-15/h1-6,9,11,21H,7-8H2.
What are the key properties of 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one has a molecular weight of 362.28 g/mol, XLogP of 5.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one is sourced from PubChem (CID 10832464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).