Chemical ID: 5877745

CCc1ccc(cc1)n2c(=O)c3ccccc3nc2C(CC)N(CCc4ccccc4)C(=O)NC5CCCCC5
Chemical ID:
5877745
Name [?]:
3-cyclohexyl-1-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-1-phenethyl-urea
SMILES [?]:
CCc1ccc(cc1)n2c(=O)c3ccccc3nc2C(CC)N(CCc4ccccc4)C(=O)NC5CCCCC5
InChi [?]:
InChI=1/C34H40N4O2/c1-3-25-19-21-28(22-20-25)38-32(36-30-18-12-11-17-29(30)33(38)39)31(4-2)37(24-23-26-13-7-5-8-14-26)34(40)35-27-15-9-6-10-16-27/h5,7-8,11-14,17-22,27,31H,3-4,6,9-10,15-16,23-24H2,1-2H3,(H,35,40)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,29,38,28,30,37,39,14,15,27,31,36,40,13,16,4,8,5,7,25,24,3,26,35,6,12,17,20,19,10,32,34,18,23,9,11,33/E:(7,8)(9,10)(13,14)(15,16)(19,20)(21,22)/rA:40cCCCCCCCCNCOCCCCCCNCCCCNCCCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s9d18;s19;s20;s21;s20;s23;s24;s25;s26;d27;s28;d29;d26s30;s23;d32;s32;s34;s35;s36;s37;s38;s35s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H40N4O2
All Atoms:40
Heavy Atoms:40
Chiral Atoms:1
ZAP Information [?]
Total:16.3938
Area:773.213
Solvation:-2.93658
Coulombic:-58.019
Bond Count [?]
All:44
Single:32
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:536.707
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.08
LogP (Chemaxon):7.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue