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85554-77-4 | 2-Benzothiazolesulfonamide,N,N-dicyclohexyl-
CAS No: 85554-77-4 Catalog No: AG004R2M MDL No:
Product Description
Catalog Number:
AG004R2M
Chemical Name:
2-Benzothiazolesulfonamide,N,N-dicyclohexyl-
CAS Number:
85554-77-4
Molecular Formula:
C19H26N2O2S2
Molecular Weight:
378.5519
IUPAC Name:
N,N-dicyclohexyl-1,3-benzothiazole-2-sulfonamide
InChI:
InChI=1S/C19H26N2O2S2/c22-25(23,19-20-17-13-7-8-14-18(17)24-19)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChI Key:
CMKDPNYJYNDKQH-UHFFFAOYSA-N
SMILES:
O=S(=O)(N(C1CCCCC1)C1CCCCC1)c1nc2c(s1)cccc2
EC Number:
287-610-2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.144g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.549g/mol
Monoisotopic Mass:
378.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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