(4-bromophenyl)-(10H-phenothiazin-1-yl)methanone

C19H12BrNOS — CID 175273870

IUPAC(4-bromophenyl)-(10H-phenothiazin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C19H12BrNOS/c20-13-10-8-12(9-11-13)19(22)14-4-3-7-17-18(14)21-15-5-1-2-6-16(15)23-17/h1-11,21H
InChIKeySVRZEMKSSLGFHQ-UHFFFAOYSA-N
MW382.28 g/mol
LogP5.89
Rot. Bonds2

About (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone

(4-bromophenyl)-(10H-phenothiazin-1-yl)methanone (PubChem CID 175273870) has the molecular formula C19H12BrNOS and a molecular weight of 382.28 g/mol. Its IUPAC name is (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(10H-phenothiazin-1-yl)methanone
PubChem CID175273870
Molecular FormulaC19H12BrNOS
Molecular Weight382.28 g/mol
Exact Mass380.98
IUPAC Name(4-bromophenyl)-(10H-phenothiazin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C19H12BrNOS/c20-13-10-8-12(9-11-13)19(22)14-4-3-7-17-18(14)21-15-5-1-2-6-16(15)23-17/h1-11,21H
InChIKeySVRZEMKSSLGFHQ-UHFFFAOYSA-N
XLogP5.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.28
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

4-acetyl-3-(4-bromophenyl)-1-(10H-phenothiazin-1-yl)hexane-1,5-dione
CID 141490822
diphenylmethanone;10H-phenothiazine
CID 175143888
(2-amino-10H-phenothiazin-1-yl)-phenylmethanone
CID 141187611
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
CID 19777087
copper;10H-phenothiazin-1-yl acetate
CID 70290846
N-(4-bromophenyl)-4-(10H-phenothiazin-1-yl)-N-phenylaniline
CID 145234858
10H-phenothiazine-1-carbaldehyde
CID 12553558
10H-phenothiazin-1-yl formate
CID 57172562
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
CID 156694386
1-(10H-phenothiazin-1-yl)-3-phenylurea
CID 139973448
10H-phenothiazine-1,2-diol
CID 19596784

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone (CID 175273870) is (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone is O=C(c1ccc(Br)cc1)c1cccc2c1Nc1ccccc1S2.
What is the InChIKey of (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone?
The InChIKey is SVRZEMKSSLGFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNOS/c20-13-10-8-12(9-11-13)19(22)14-4-3-7-17-18(14)21-15-5-1-2-6-16(15)23-17/h1-11,21H.
What are the key properties of (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone?
(4-bromophenyl)-(10H-phenothiazin-1-yl)methanone has a molecular weight of 382.28 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(10H-phenothiazin-1-yl)methanone is sourced from PubChem (CID 175273870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).