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1000511-61-4 | 2-[3-(1,4-diazepan-1-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1000511-61-4 Catalog No: AG00JVD9 MDL No:
Product Description
Catalog Number:
AG00JVD9
Chemical Name:
2-[3-(1,4-diazepan-1-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1000511-61-4
Molecular Formula:
C16H21N3O2
Molecular Weight:
287.3568
IUPAC Name:
2-[3-(1,4-diazepan-1-yl)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H21N3O2/c20-15-13-5-1-2-6-14(13)16(21)19(15)11-4-10-18-9-3-7-17-8-12-18/h1-2,5-6,17H,3-4,7-12H2
InChI Key:
QIXVAYRYRYUJDP-UHFFFAOYSA-N
SMILES:
O=C1N(CCCN2CCNCCC2)C(=O)c2c1cccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.363g/mol
Monoisotopic Mass:
287.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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