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121819-09-8 | 9H,11H-Pyrazino[2,1-c]pyrrolo[1,2-a][1,4]benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-methyl-
CAS No: 121819-09-8 Catalog No: AG00163F MDL No:
Product Description
Catalog Number:
AG00163F
Chemical Name:
9H,11H-Pyrazino[2,1-c]pyrrolo[1,2-a][1,4]benzodiazepin-11-one, 12,13,14,14a-tetrahydro-13-methyl-
CAS Number:
121819-09-8
Molecular Formula:
C16H17N3O
Molecular Weight:
267.3257
IUPAC Name:
9-methyl-2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaen-11-one
InChI:
InChI=1S/C16H17N3O/c1-17-10-15-14-7-4-8-18(14)13-6-3-2-5-12(13)9-19(15)16(20)11-17/h2-8,15H,9-11H2,1H3
InChI Key:
ICHXNRGFPUJMOV-UHFFFAOYSA-N
SMILES:
CN1CC(=O)N2C(C1)c1cccn1c1c(C2)cccc1
NSC Number:
629460
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.332g/mol
Monoisotopic Mass:
267.137g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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