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150582-34-6 | 1H-Pyrrolo[2,3-d]pyridazine-2-carboxylic acid, 4,5-dihydro-1,3-dimethyl-4-oxo-5-(phenylmethyl)-, ethyl ester
CAS No: 150582-34-6 Catalog No: AG001MQU MDL No:
Product Description
Catalog Number:
AG001MQU
Chemical Name:
1H-Pyrrolo[2,3-d]pyridazine-2-carboxylic acid, 4,5-dihydro-1,3-dimethyl-4-oxo-5-(phenylmethyl)-, ethyl ester
CAS Number:
150582-34-6
Molecular Formula:
C18H19N3O3
Molecular Weight:
325.3618
IUPAC Name:
ethyl 5-benzyl-1,3-dimethyl-4-oxopyrrolo[2,3-d]pyridazine-2-carboxylate
InChI:
InChI=1S/C18H19N3O3/c1-4-24-18(23)16-12(2)15-14(20(16)3)10-19-21(17(15)22)11-13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3
InChI Key:
CODABUDKGQUXDP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)c2c(n1C)cnn(c2=O)Cc1ccccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.368g/mol
Monoisotopic Mass:
325.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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