200,000+ products from a single source!
sales@angenechem.com
180266-44-8 | 3H-Pyrimido[4,5,6-kl]acridin-2(7H)-one, 3-[2-(dimethylamino)ethyl]-10-methoxy-6-nitro-
CAS No: 180266-44-8 Catalog No: AG0021UI MDL No:
Product Description
Catalog Number:
AG0021UI
Chemical Name:
3H-Pyrimido[4,5,6-kl]acridin-2(7H)-one, 3-[2-(dimethylamino)ethyl]-10-methoxy-6-nitro-
CAS Number:
180266-44-8
Molecular Formula:
C19H19N5O4
Molecular Weight:
381.3853
IUPAC Name:
14-[2-(dimethylamino)ethyl]-4-methoxy-10-nitro-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-15-one
InChI:
InChI=1S/C19H19N5O4/c1-22(2)8-9-23-14-6-7-15(24(26)27)18-16(14)17(21-19(23)25)12-10-11(28-3)4-5-13(12)20-18/h4-7,10,20H,8-9H2,1-3H3
InChI Key:
GIGBIDUIHJMQRA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1nc(=O)n(c3c1c([nH]2)c(cc3)[N+](=O)[O-])CCN(C)C
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.144g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.392g/mol
Monoisotopic Mass:
381.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.