Chemical ID: 7273341

CC(C)Sc1nc2ccccc2c(=O)n1c3ccc(cc3)Cl
Chemical ID:
7273341
Name [?]:
3-(4-chlorophenyl)-2-isopropylsulfanyl-quinazolin-4-one
SMILES [?]:
CC(C)Sc1nc2ccccc2c(=O)n1c3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H15ClN2OS/c1-11(2)22-17-19-15-6-4-3-5-14(15)16(21)20(17)13-9-7-12(18)8-10-13/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,8,18,20,17,21,2,19,16,12,7,13,5,22,6,15,14,4/E:(1,2)(7,8)(9,10)/rA:22nCCCSCNCCCCCCCONCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;d13;s5s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClN2OS
All Atoms:37
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.1352
Area:506.944
Solvation:-1.5384
Coulombic:-26.3325
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:330.833
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.43
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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