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Chemical ID: 5873723
Chemical ID:
5873723
Name [?]:
1-cinnamyl-1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-urea
SMILES [?]:
COc1ccccc1NC(=O)N(CCC(c2ccccc2)c3ccccc3)CC=Cc4ccccc4
InChi [?]:
InChI=1/C32H32N2O2/c1-36-31-22-12-11-21-30(31)33-32(35)34(24-13-16-26-14-5-2-6-15-26)25-23-29(27-17-7-3-8-18-27)28-19-9-4-10-20-28/h2-22,29H,23-25H2,1H3,(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,34,19,25,33,35,18,20,24,26,6,5,29,32,36,30,17,21,23,27,7,4,14,28,13,31,16,22,15,8,3,10,9,12,11,2/E:(3,4)(5,6)(7,8,9,10)(14,15)(17,18,19,20)(27,28)/rA:36nCOCCCCCCNCONCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s15;s22;d23;s24;d25;d22s26;s12;s28;w29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H32N2O2 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9286 |
Area: | 708.633 |
Solvation: | -3.78721 |
Coulombic: | -45.1655 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 476.609 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.0 |
LogP (Chemaxon): | 7.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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