Chemical ID: 5901488

CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)Nc3ccccc3F
Chemical ID:
5901488
Name [?]:
1-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-urea
SMILES [?]:
CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)Nc3ccccc3F
InChi [?]:
InChI=1/C18H16ClFN4O2/c1-10(21-18(26)23-14-6-4-3-5-13(14)20)16-22-15-9-11(19)7-8-12(15)17(25)24(16)2/h3-10H,1-2H3,(H2,21,23,26)
InChi Info:
AuxInfo=1/1/N:1,14,23,22,24,21,8,9,6,2,7,10,25,20,5,3,11,17,15,26,16,4,19,13,12,18/rA:26cCCCNCCCCCCCONCClNCONCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s7;s2;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClFN4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.0719
Area:565.475
Solvation:-3.065
Coulombic:-62.5178
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.797
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.76
LogP (Chemaxon):2.77

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