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89721-79-9 | Urea, N-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N'-2-propenyl-
CAS No: 89721-79-9 Catalog No: AG00880Z MDL No:
Product Description
Catalog Number:
AG00880Z
Chemical Name:
Urea, N-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N'-2-propenyl-
CAS Number:
89721-79-9
Molecular Formula:
C17H15N3O2S
Molecular Weight:
325.3849
IUPAC Name:
1-[4-(1,2-benzothiazol-5-yloxy)phenyl]-3-prop-2-enylurea
InChI:
InChI=1S/C17H15N3O2S/c1-2-9-18-17(21)20-13-3-5-14(6-4-13)22-15-7-8-16-12(10-15)11-19-23-16/h2-8,10-11H,1,9H2,(H2,18,20,21)
InChI Key:
COIWXEHXMCHYIV-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)Nc1ccc(cc1)Oc1ccc2c(c1)cns2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.386g/mol
Monoisotopic Mass:
325.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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