Chemical ID: 5876138

CCc1ccc(cc1)C(=O)N(CC)C(C)c2nc3cc(ccc3c(=O)n2c4ccc(cc4)C)Cl
Chemical ID:
5876138
Name [?]:
N-[1-[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]-N,4-diethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC)C(C)c2nc3cc(ccc3c(=O)n2c4ccc(cc4)C)Cl
InChi [?]:
InChI=1/C28H28ClN3O2/c1-5-20-9-11-21(12-10-20)27(33)31(6-2)19(4)26-30-25-17-22(29)13-16-24(25)28(34)32(26)23-14-7-18(3)8-15-23/h7-17,19H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,33,15,2,12,29,31,4,8,5,7,21,28,32,22,19,30,14,3,6,20,27,23,18,16,9,24,34,17,11,26,10,25/E:(7,8)(9,10)(11,12)(14,15)/rA:34cCCCCCCCCCONCCCCCNCCCCCCCONCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s11;s14;s14;d16;s17;s18;d19;s20;d21;d18s22;s23;d24;s16s24;s26;s27;d28;s29;d30;d27s31;s30;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H28ClN3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.2463
Area:680.708
Solvation:-2.77145
Coulombic:-43.0145
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:473.994
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.58
LogP (Chemaxon):6.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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