ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate

C18H18N2O3 — CID 124583209

IUPACethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NN=C(c2ccco2)[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-3-22-18(21)15-12(2)19-20-17(14-10-7-11-23-14)16(15)13-8-5-4-6-9-13/h4-11,16,19H,3H2,1-2H3/t16-/m0/s1
InChIKeyRNYFHMVREBLWIR-INIZCTEOSA-N
MW310.35 g/mol
LogP3.21
Rot. Bonds4

About ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate

ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate (PubChem CID 124583209) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate
PubChem CID124583209
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NN=C(c2ccco2)[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-3-22-18(21)15-12(2)19-20-17(14-10-7-11-23-14)16(15)13-8-5-4-6-9-13/h4-11,16,19H,3H2,1-2H3/t16-/m0/s1
InChIKeyRNYFHMVREBLWIR-INIZCTEOSA-N
XLogP3.21
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate?
The IUPAC name of ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate (CID 124583209) is ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate.
What is the SMILES notation for ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate?
The canonical SMILES for ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate is CCOC(=O)C1=C(C)NN=C(c2ccco2)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate?
The InChIKey is RNYFHMVREBLWIR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-22-18(21)15-12(2)19-20-17(14-10-7-11-23-14)16(15)13-8-5-4-6-9-13/h4-11,16,19H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate?
ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate is sourced from PubChem (CID 124583209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).