1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine

C22H17FN2S — CID 7239500

IUPAC1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine
SMILESCc1cccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C22H17FN2S/c1-15-5-4-6-16(13-15)14-26-22-20-8-3-2-7-19(20)21(24-25-22)17-9-11-18(23)12-10-17/h2-13H,14H2,1H3
InChIKeySRWXVCRQMQQZIO-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.04
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine

1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine (PubChem CID 7239500) has the molecular formula C22H17FN2S and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine
PubChem CID7239500
Molecular FormulaC22H17FN2S
Molecular Weight360.46 g/mol
Exact Mass360.11
IUPAC Name1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine
SMILESCc1cccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C22H17FN2S/c1-15-5-4-6-16(13-15)14-26-22-20-8-3-2-7-19(20)21(24-25-22)17-9-11-18(23)12-10-17/h2-13H,14H2,1H3
InChIKeySRWXVCRQMQQZIO-UHFFFAOYSA-N
XLogP6.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine 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

1-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine
CID 4015733
1-[(3-chlorophenyl)methylsulfanyl]-4-phenylphthalazine
CID 6992145
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 6411716
2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 112774837
5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine
CID 7351661
1-butylsulfanyl-4-(4-methylphenyl)phthalazine
CID 6407380
4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazine
CID 16858791
(2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(4-methylphenyl)propan-1-one
CID 7239456
1-(4-fluorophenyl)-4-(3-phenoxypropylsulfanyl)phthalazine
CID 7629333
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 6411346
N-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
CID 24567628
ethyl (4S)-6-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41087774

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine (CID 7239500) is 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine is Cc1cccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine?
The InChIKey is SRWXVCRQMQQZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2S/c1-15-5-4-6-16(13-15)14-26-22-20-8-3-2-7-19(20)21(24-25-22)17-9-11-18(23)12-10-17/h2-13H,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine?
1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine has a molecular weight of 360.46 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine is sourced from PubChem (CID 7239500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).