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144510-91-8 | Benz[g]isoquinoline-5,10-dione, 6,9-bis[[2-(1-pyrrolidinyl)ethyl]amino]-
CAS No: 144510-91-8 Catalog No: AG001JOM MDL No:
Product Description
Catalog Number:
AG001JOM
Chemical Name:
Benz[g]isoquinoline-5,10-dione, 6,9-bis[[2-(1-pyrrolidinyl)ethyl]amino]-
CAS Number:
144510-91-8
Molecular Formula:
C25H31N5O2
Molecular Weight:
433.5459
IUPAC Name:
6,9-bis(2-pyrrolidin-1-ylethylamino)benzo[g]isoquinoline-5,10-dione
InChI:
InChI=1S/C25H31N5O2/c31-24-18-7-8-26-17-19(18)25(32)23-21(28-10-16-30-13-3-4-14-30)6-5-20(22(23)24)27-9-15-29-11-1-2-12-29/h5-8,17,27-28H,1-4,9-16H2
InChI Key:
JIGYVEPELWUUGD-UHFFFAOYSA-N
SMILES:
O=C1c2c(NCCN3CCCC3)ccc(c2C(=O)c2c1ccnc2)NCCN1CCCC1
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.248g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.556g/mol
Monoisotopic Mass:
433.248g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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