N-(4-(N-((3-(4-CHLOROPHENYL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)METHYL)SULFAMOYL)PHENYL)ACETAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key DWUKWRHUPYORMU-UHFFFAOYSA-N
Smiles CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC2=Nc3ccccc3C(=O)N2c4ccc(Cl)cc4
InChI
InChI=1S/C23H19ClN4O4S/c1-15(29)26-17-8-12-19(13-9-17)33(31,32)25-14-22-27-21-5-3-2-4-20(21)23(30)28(22)18-10-6-16(24)7-11-18/h2-13,25H,14H2,1H3,(H,26,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H19ClN4O4S
Molecular Weight 482.94
AlogP 2.82
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 116.32
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Cross References

Resources Reference
ChEMBL CHEMBL2298500
PubChem 76335032
CONTENTS