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Chemical ID: 5901408
Chemical ID:
5901408
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-acetamide
SMILES [?]:
CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17Cl2N3O3/c1-11(22-17(25)10-27-14-6-3-12(20)4-7-14)18-23-16-9-13(21)5-8-15(16)19(26)24(18)2/h3-9,11H,10H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,14,23,25,8,22,26,9,6,19,2,24,7,21,10,5,17,3,11,27,15,16,4,13,18,12,20/E:(3,4)(6,7)/rA:27cCCCNCCCCCCCONCClNCOCOCCCCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s7;s2;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17Cl2N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9668 |
Area: | 624.689 |
Solvation: | -4.65044 |
Coulombic: | -51.8497 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.262 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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