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Chemical ID: 7096905
Chemical ID:
7096905
Name [?]:
3-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-urea
SMILES [?]:
CCN(Cc1nc(no1)c2ccc(c(c2)OC)OC)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C20H28N4O4/c1-4-24(20(25)21-15-8-6-5-7-9-15)13-18-22-19(23-28-18)14-10-11-16(26-2)17(12-14)27-3/h10-12,15H,4-9,13H2,1-3H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,19,17,2,26,25,27,24,28,11,12,15,4,10,23,13,14,5,7,20,22,6,8,3,21,18,16,9/E:(6,7)(8,9)/rA:28nCCNCCNCNOCCCCCCOCOCCONCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s3;d20;s20;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N4O4 |
All Atoms: | 56 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99254 |
Area: | 627.699 |
Solvation: | -5.69992 |
Coulombic: | -56.8488 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.15 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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