1-phenothiazin-10-yl-3-phenylpropan-1-one

C21H17NOS — CID 893336

IUPAC1-phenothiazin-10-yl-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17NOS/c23-21(15-14-16-8-2-1-3-9-16)22-17-10-4-6-12-19(17)24-20-13-7-5-11-18(20)22/h1-13H,14-15H2
InChIKeyUFAZLVHMPFPAHH-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.45
Rot. Bonds3

About 1-phenothiazin-10-yl-3-phenylpropan-1-one

1-phenothiazin-10-yl-3-phenylpropan-1-one (PubChem CID 893336) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-phenothiazin-10-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-phenothiazin-10-yl-3-phenylpropan-1-one
PubChem CID893336
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name1-phenothiazin-10-yl-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17NOS/c23-21(15-14-16-8-2-1-3-9-16)22-17-10-4-6-12-19(17)24-20-13-7-5-11-18(20)22/h1-13H,14-15H2
InChIKeyUFAZLVHMPFPAHH-UHFFFAOYSA-N
XLogP5.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-
CID 94975
10-Benzoyl-10H-phenothiazine
CID 262319
(3-bromophenyl)(10H-phenothiazin-10-yl)methanone
CID 607810
1-(10H-Phenothiazin-10-yl)-2-phenylethan-1-one
CID 1238015
2-phenyl-4H-1,4-benzothiazin-3-one
CID 234768
1-(10H-phenothiazin-10-yl)-2-phenylpropan-1-one
CID 44435193
1-(10H-phenothiazin-10-yl)-2-phenylbutan-1-one
CID 44435196
1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one
CID 44435200
naphthalen-1-yl(10H-phenothiazin-10-yl)methanone
CID 44435217
naphthalen-2-yl(10H-phenothiazin-10-yl)methanone
CID 44435218
anthracen-10-yl(10H-phenothiazin-10-yl)methanone
CID 44435223
(4-bromophenyl)(10H-phenothiazin-10-yl)methanone
CID 3473392

Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-yl-3-phenylpropan-1-one?
The IUPAC name of 1-phenothiazin-10-yl-3-phenylpropan-1-one (CID 893336) is 1-phenothiazin-10-yl-3-phenylpropan-1-one.
What is the SMILES notation for 1-phenothiazin-10-yl-3-phenylpropan-1-one?
The canonical SMILES for 1-phenothiazin-10-yl-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-phenothiazin-10-yl-3-phenylpropan-1-one?
The InChIKey is UFAZLVHMPFPAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS/c23-21(15-14-16-8-2-1-3-9-16)22-17-10-4-6-12-19(17)24-20-13-7-5-11-18(20)22/h1-13H,14-15H2.
What are the key properties of 1-phenothiazin-10-yl-3-phenylpropan-1-one?
1-phenothiazin-10-yl-3-phenylpropan-1-one has a molecular weight of 331.44 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-yl-3-phenylpropan-1-one is sourced from PubChem (CID 893336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).