(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone

C32H25ClF2N4O5S2 — CID 87610110

IUPAC(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1nnc(Cl)cc1SC.COc1ccccc1C(=O)c1nnc(Oc2ccc(F)cc2F)cc1SC
InChIInChI=1S/C19H14F2N2O3S.C13H11ClN2O2S/c1-25-14-6-4-3-5-12(14)19(24)18-16(27-2)10-17(22-23-18)26-15-8-7-11(20)9-13(15)21;1-18-9-6-4-3-5-8(9)13(17)12-10(19-2)7-11(14)15-16-12/h3-10H,1-2H3;3-7H,1-2H3
InChIKeyRKONGMPBEVLCHT-UHFFFAOYSA-N
MW683.16 g/mol
LogP7.60
Rot. Bonds10

About (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone

(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone (PubChem CID 87610110) has the molecular formula C32H25ClF2N4O5S2 and a molecular weight of 683.16 g/mol. Its IUPAC name is (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone
PubChem CID87610110
Molecular FormulaC32H25ClF2N4O5S2
Molecular Weight683.16 g/mol
Exact Mass682.09
IUPAC Name(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1nnc(Cl)cc1SC.COc1ccccc1C(=O)c1nnc(Oc2ccc(F)cc2F)cc1SC
InChIInChI=1S/C19H14F2N2O3S.C13H11ClN2O2S/c1-25-14-6-4-3-5-12(14)19(24)18-16(27-2)10-17(22-23-18)26-15-8-7-11(20)9-13(15)21;1-18-9-6-4-3-5-8(9)13(17)12-10(19-2)7-11(14)15-16-12/h3-10H,1-2H3;3-7H,1-2H3
InChIKeyRKONGMPBEVLCHT-UHFFFAOYSA-N
XLogP7.60
TPSA113.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500683.16
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone with MolForge

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Related Compounds

acetaldehyde;(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone
CID 143415038
2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone
CID 162231182
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
(2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone
CID 68879730
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone (CID 87610110) is (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1nnc(Cl)cc1SC.COc1ccccc1C(=O)c1nnc(Oc2ccc(F)cc2F)cc1SC.
What is the InChIKey of (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone?
The InChIKey is RKONGMPBEVLCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3S.C13H11ClN2O2S/c1-25-14-6-4-3-5-12(14)19(24)18-16(27-2)10-17(22-23-18)26-15-8-7-11(20)9-13(15)21;1-18-9-6-4-3-5-8(9)13(17)12-10(19-2)7-11(14)15-16-12/h3-10H,1-2H3;3-7H,1-2H3.
What are the key properties of (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone?
(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone has a molecular weight of 683.16 g/mol, XLogP of 7.60, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 87610110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).