Chemical ID: 5901410

CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)C(c3ccccc3)c4ccccc4
Chemical ID:
5901410
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-2,2-diphenyl-acetamide
SMILES [?]:
CC(c1nc2cc(ccc2c(=O)n1C)Cl)NC(=O)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C25H22ClN3O2/c1-16(23-28-21-15-19(26)13-14-20(21)25(31)29(23)2)27-24(30)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22H,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,14,23,29,22,24,28,30,21,25,27,31,8,9,6,2,20,26,7,10,5,19,3,17,11,15,16,4,13,18,12/E:(3,4)(5,6,7,8)(9,10,11,12)(17,18)/rA:31cCCCNCCCCCCCONCClNCOCCCCCCCCCCCCC/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;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22ClN3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.2741
Area:656.299
Solvation:-3.13341
Coulombic:-47.3991
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:431.914
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.59
LogP (Chemaxon):4.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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