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3074-35-9 | 1H-Indene-5-sulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-2,3-dihydro-
CAS No: 3074-35-9 Catalog No: AG00313Y MDL No:
Product Description
Catalog Number:
AG00313Y
Chemical Name:
1H-Indene-5-sulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-2,3-dihydro-
CAS Number:
3074-35-9
Molecular Formula:
C16H23N3O3S
Molecular Weight:
337.4371
IUPAC Name:
1-(azepan-1-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea
InChI:
InChI=1S/C16H23N3O3S/c20-16(17-19-10-3-1-2-4-11-19)18-23(21,22)15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,1-7,10-11H2,(H2,17,18,20)
InChI Key:
BAMWZWFFSCYCGQ-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc2c(c1)CCC2)NN1CCCCCC1
UNII:
904C84L01N
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.438g/mol
Monoisotopic Mass:
337.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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