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1434050-55-1 | 4-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde
CAS No: 1434050-55-1 Catalog No: AG0039PM MDL No:
Product Description
Catalog Number:
AG0039PM
Chemical Name:
4-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde
CAS Number:
1434050-55-1
Molecular Formula:
C18H18ClN3O2
Molecular Weight:
343.8074
IUPAC Name:
4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C18H18ClN3O2/c1-18(2)8-11-7-14-17(24)22(6-5-21(14)15(11)9-18)16-12(10-23)13(19)3-4-20-16/h3-4,7,10H,5-6,8-9H2,1-2H3
InChI Key:
PKWFXNWHHJGUPZ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)ccnc1N1CCn2c(C1=O)cc1c2CC(C1)(C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.109g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.811g/mol
Monoisotopic Mass:
343.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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