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Chemical ID: 5258715
Chemical ID:
5258715
Name [?]:
1-(p-tolyl)-3-[6-(p-tolylcarbamoylamino)hexyl]urea
SMILES [?]:
Cc1ccc(cc1)NC(=O)NCCCCCCNC(=O)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C22H30N4O2/c1-17-7-11-19(12-8-17)25-21(27)23-15-5-3-4-6-16-24-22(28)26-20-13-9-18(2)10-14-20/h7-14H,3-6,15-16H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,14,15,13,16,3,7,24,26,4,6,23,27,12,17,2,25,5,22,9,19,11,18,8,21,10,20/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCCNCONCCCCCCNCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6479 |
Area: | 680.704 |
Solvation: | -3.36966 |
Coulombic: | -70.8348 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 382.499 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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