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87992-63-0 | Carbamic acid, [4-(6-methyl-2-benzothiazolyl)phenyl]-, phenyl ester
CAS No: 87992-63-0 Catalog No: AG004O9Q MDL No:
Product Description
Catalog Number:
AG004O9Q
Chemical Name:
Carbamic acid, [4-(6-methyl-2-benzothiazolyl)phenyl]-, phenyl ester
CAS Number:
87992-63-0
Molecular Formula:
C21H16N2O2S
Molecular Weight:
360.4289
IUPAC Name:
phenyl N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamate
InChI:
InChI=1S/C21H16N2O2S/c1-14-7-12-18-19(13-14)26-20(23-18)15-8-10-16(11-9-15)22-21(24)25-17-5-3-2-4-6-17/h2-13H,1H3,(H,22,24)
InChI Key:
RNWUUJDQKRDWRJ-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.093g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.431g/mol
Monoisotopic Mass:
360.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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