morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone

C26H23N3O3S — CID 6402590

IUPACmorpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone
SMILESO=C(c1ccc(CSc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)o1)N1CCOCC1
InChIInChI=1S/C26H23N3O3S/c30-26(29-14-16-31-17-15-29)24-12-10-22(32-24)18-33-25-13-11-23(27-28-25)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13H,14-18H2
InChIKeyLZSKPHDAQIKPQK-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.17
Rot. Bonds6

About morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone

morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone (PubChem CID 6402590) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone
PubChem CID6402590
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Namemorpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone
SMILESO=C(c1ccc(CSc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)o1)N1CCOCC1
InChIInChI=1S/C26H23N3O3S/c30-26(29-14-16-31-17-15-29)24-12-10-22(32-24)18-33-25-13-11-23(27-28-25)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13H,14-18H2
InChIKeyLZSKPHDAQIKPQK-UHFFFAOYSA-N
XLogP5.17
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 6402585
1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]ethanone
CID 6412558
N-pentyl-5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 42763760
2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
CID 7206160
[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 30859847
N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carboxamide
CID 93101781
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(4-benzylpiperazin-1-yl)-[5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]methanone
CID 30859853
3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoic acid
CID 42763696
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 42663321
N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 6402607
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone (CID 6402590) is morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone is O=C(c1ccc(CSc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)o1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone?
The InChIKey is LZSKPHDAQIKPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c30-26(29-14-16-31-17-15-29)24-12-10-22(32-24)18-33-25-13-11-23(27-28-25)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13H,14-18H2.
What are the key properties of morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone?
morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone has a molecular weight of 457.56 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone is sourced from PubChem (CID 6402590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).