(4-bromophenyl)-phenothiazin-10-ylmethanone

C19H12BrNOS — CID 3473392

IUPAC(4-bromophenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1ccc(Br)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12BrNOS/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1-12H
InChIKeyHIHPKBOMPNDAIA-UHFFFAOYSA-N
MW382.28 g/mol
LogP5.89
Rot. Bonds1

About (4-bromophenyl)-phenothiazin-10-ylmethanone

(4-bromophenyl)-phenothiazin-10-ylmethanone (PubChem CID 3473392) has the molecular formula C19H12BrNOS and a molecular weight of 382.28 g/mol. Its IUPAC name is (4-bromophenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(4-bromophenyl)-phenothiazin-10-ylmethanone
PubChem CID3473392
Molecular FormulaC19H12BrNOS
Molecular Weight382.28 g/mol
Exact Mass380.98
IUPAC Name(4-bromophenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1ccc(Br)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12BrNOS/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1-12H
InChIKeyHIHPKBOMPNDAIA-UHFFFAOYSA-N
XLogP5.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.28
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromophenyl)-phenothiazin-10-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (4-bromophenyl)-phenothiazin-10-ylmethanone (CID 3473392) is (4-bromophenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (4-bromophenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (4-bromophenyl)-phenothiazin-10-ylmethanone is O=C(c1ccc(Br)cc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (4-bromophenyl)-phenothiazin-10-ylmethanone?
The InChIKey is HIHPKBOMPNDAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNOS/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1-12H.
What are the key properties of (4-bromophenyl)-phenothiazin-10-ylmethanone?
(4-bromophenyl)-phenothiazin-10-ylmethanone has a molecular weight of 382.28 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 3473392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).