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89721-81-3 | Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-bis(1-methylethyl)-
CAS No: 89721-81-3 Catalog No: AG00880Y MDL No:
Product Description
Catalog Number:
AG00880Y
Chemical Name:
Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-bis(1-methylethyl)-
CAS Number:
89721-81-3
Molecular Formula:
C20H23N3O2S
Molecular Weight:
369.4805
IUPAC Name:
3-[4-(1,2-benzothiazol-5-yloxy)phenyl]-1,1-di(propan-2-yl)urea
InChI:
InChI=1S/C20H23N3O2S/c1-13(2)23(14(3)4)20(24)22-16-5-7-17(8-6-16)25-18-9-10-19-15(11-18)12-21-26-19/h5-14H,1-4H3,(H,22,24)
InChI Key:
VGQVTQXCGDPJSZ-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)Nc1ccc(cc1)Oc1ccc2c(c1)cns2)C(C)C)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.151g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.483g/mol
Monoisotopic Mass:
369.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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