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887353-18-6 | 2,7-Bis(alloxycarbonylamino)-9(10H)acridine
CAS No: 887353-18-6 Catalog No: AG00447O MDL No:
Product Description
Catalog Number:
AG00447O
Chemical Name:
2,7-Bis(alloxycarbonylamino)-9(10H)acridine
CAS Number:
887353-18-6
Molecular Formula:
C21H19N3O5
Molecular Weight:
393.3927
IUPAC Name:
prop-2-enyl N-[9-oxo-6-(prop-2-enoxycarbonylamino)-10H-acridin-3-yl]carbamate
InChI:
InChI=1S/C21H19N3O5/c1-3-9-28-20(26)22-13-5-7-15-17(11-13)24-18-12-14(6-8-16(18)19(15)25)23-21(27)29-10-4-2/h3-8,11-12H,1-2,9-10H2,(H,22,26)(H,23,27)(H,24,25)
InChI Key:
HPEVEHIOZFNEGW-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)Nc1ccc2c(c1)[nH]c1c(c2=O)ccc(c1)NC(=O)OCC=C
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.132g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
393.399g/mol
Monoisotopic Mass:
393.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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