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577768-59-3 | tert-Butyl 4-(1H-pyrrolo[3,2-b]pyridin-7-yl);cyclohexanecarboxylate
CAS No: 577768-59-3 Catalog No: AG003UJR MDL No:MFCD09859122
Product Description
Catalog Number:
AG003UJR
Chemical Name:
tert-Butyl 4-(1H-pyrrolo[3,2-b]pyridin-7-yl);cyclohexanecarboxylate
CAS Number:
577768-59-3
Molecular Formula:
C18H24N2O2
Molecular Weight:
300.3954
MDL Number:
MFCD09859122
IUPAC Name:
tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-10-8-19(9-11-20)13-5-7-18-14-12(13)4-6-17-14/h4-7H,8-11H2,1-3H3,(H,17,18)
InChI Key:
SETNUDBXVJYSGE-UHFFFAOYSA-N
SMILES:
O=C(C1CCC(CC1)c1ccnc2c1[nH]cc2)OC(C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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