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478043-96-8 | 4-methyl-N-[(4E)-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazolin-4-ylidene]benzene-1-sulfonamide
CAS No: 478043-96-8 Catalog No: AG00IU1V MDL No:MFCD02082246
Product Description
Catalog Number:
AG00IU1V
Chemical Name:
4-methyl-N-[(4E)-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazolin-4-ylidene]benzene-1-sulfonamide
CAS Number:
478043-96-8
Molecular Formula:
C21H17N3O3S
Molecular Weight:
391.4430
MDL Number:
MFCD02082246
IUPAC Name:
4-methyl-N-(2-oxo-3-phenylquinazolin-4-yl)benzenesulfonamide
InChI:
InChI=1S/C21H17N3O3S/c1-15-11-13-17(14-12-15)28(26,27)23-20-18-9-5-6-10-19(18)22-21(25)24(20)16-7-3-2-4-8-16/h2-14,23H,1H3
InChI Key:
NVUNOBFBRNKMGF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)/N=c/1\c2ccccc2[nH]c(=O)n1c1ccccc1
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.099g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.445g/mol
Monoisotopic Mass:
391.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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