Chemical ID: 5901385

CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
5901385
Name [?]:
3,4-dichloro-N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]benzamide
SMILES [?]:
CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C18H14Cl3N3O2/c1-9(22-17(25)10-3-6-13(20)14(21)7-10)16-23-15-8-11(19)4-5-12(15)18(26)24(16)2/h3-9H,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,14,20,8,9,21,24,6,2,19,7,10,22,23,5,3,17,11,15,26,25,16,4,13,18,12/rA:26cCCCNCCCCCCCONCClNCOCCCCCCClCl/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s7;s2;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl3N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.4823
Area:604.765
Solvation:-2.63686
Coulombic:-46.0979
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:410.681
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):3.92

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Descriptor Annotations

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