Chemical ID: 5876981

CCCN(C(C)c1nc2ccccc2c(=O)n1c3ccc(cc3)CC)C(=O)Nc4ccc(cc4)C
Chemical ID:
5876981
Name [?]:
1-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-1-propyl-3-(p-tolyl)urea
SMILES [?]:
CCCN(C(C)c1nc2ccccc2c(=O)n1c3ccc(cc3)CC)C(=O)Nc4ccc(cc4)C
InChi [?]:
InChI=1/C29H32N4O2/c1-5-19-32(29(35)30-23-15-11-20(3)12-16-23)21(4)27-31-26-10-8-7-9-25(26)28(34)33(27)24-17-13-22(6-2)14-18-24/h7-18,21H,5-6,19H2,1-4H3,(H,30,35)
InChi Info:
AuxInfo=1/1/N:1,25,35,6,2,24,12,11,13,10,31,33,20,22,30,34,19,23,3,32,5,21,29,18,14,9,7,15,26,28,8,4,17,16,27/E:(11,12)(13,14)(15,16)(17,18)/rA:35cCCCNCCCNCCCCCCCONCCCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s14;d15;s7s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s4;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H32N4O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.7852
Area:664.118
Solvation:-2.81775
Coulombic:-55.8183
Bond Count [?]
All:38
Single:26
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:468.59
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.81
LogP (Chemaxon):6.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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