(3-bromophenyl)-phenothiazin-10-ylmethanone

C19H12BrNOS — CID 607810

IUPAC(3-bromophenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1cccc(Br)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12BrNOS/c20-14-7-5-6-13(12-14)19(22)21-15-8-1-3-10-17(15)23-18-11-4-2-9-16(18)21/h1-12H
InChIKeyXWGLMCFWNRNHDU-UHFFFAOYSA-N
MW382.28 g/mol
LogP5.89
Rot. Bonds1

About (3-bromophenyl)-phenothiazin-10-ylmethanone

(3-bromophenyl)-phenothiazin-10-ylmethanone (PubChem CID 607810) has the molecular formula C19H12BrNOS and a molecular weight of 382.28 g/mol. Its IUPAC name is (3-bromophenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(3-bromophenyl)-phenothiazin-10-ylmethanone
PubChem CID607810
Molecular FormulaC19H12BrNOS
Molecular Weight382.28 g/mol
Exact Mass380.98
IUPAC Name(3-bromophenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1cccc(Br)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12BrNOS/c20-14-7-5-6-13(12-14)19(22)21-15-8-1-3-10-17(15)23-18-11-4-2-9-16(18)21/h1-12H
InChIKeyXWGLMCFWNRNHDU-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

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (3-bromophenyl)-phenothiazin-10-ylmethanone (CID 607810) is (3-bromophenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (3-bromophenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (3-bromophenyl)-phenothiazin-10-ylmethanone is O=C(c1cccc(Br)c1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (3-bromophenyl)-phenothiazin-10-ylmethanone?
The InChIKey is XWGLMCFWNRNHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNOS/c20-14-7-5-6-13(12-14)19(22)21-15-8-1-3-10-17(15)23-18-11-4-2-9-16(18)21/h1-12H.
What are the key properties of (3-bromophenyl)-phenothiazin-10-ylmethanone?
(3-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 (3-bromophenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 607810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).