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88350-68-9 | 5H-Pyrido[2,3-e][1,3]diazepine-5,9(8H)-dione, 8-(1-piperidinylmethyl)-
CAS No: 88350-68-9 Catalog No: AG00475Y MDL No:
Product Description
Catalog Number:
AG00475Y
Chemical Name:
5H-Pyrido[2,3-e][1,3]diazepine-5,9(8H)-dione, 8-(1-piperidinylmethyl)-
CAS Number:
88350-68-9
Molecular Formula:
C14H16N4O2
Molecular Weight:
272.3024
IUPAC Name:
8-(piperidin-1-ylmethyl)pyrido[2,3-e][1,3]diazepine-5,9-dione
InChI:
InChI=1S/C14H16N4O2/c19-13-11-5-4-6-15-12(11)14(20)18(9-16-13)10-17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2
InChI Key:
MXZKIKADHVXYCT-UHFFFAOYSA-N
SMILES:
O=c1ncn(c(=O)c2c1cccn2)CN1CCCCC1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.308g/mol
Monoisotopic Mass:
272.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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