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Chemical ID: 5876860
Chemical ID:
5876860
Name [?]:
3-[2-[(4-fluorophenyl)-(o-tolylcarbamoyl)amino]ethyl]-1-(m-tolyl)urea
SMILES [?]:
Cc1cccc(c1)NC(=O)NCCN(c2ccc(cc2)F)C(=O)Nc3ccccc3C
InChi [?]:
InChI=1/C24H25FN4O2/c1-17-6-5-8-20(16-17)27-23(30)26-14-15-29(21-12-10-19(25)11-13-21)24(31)28-22-9-4-3-7-18(22)2/h3-13,16H,14-15H2,1-2H3,(H,28,31)(H2,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,31,28,27,4,3,29,5,26,17,19,16,20,12,13,7,2,30,18,6,15,25,9,22,21,11,8,24,14,10,23/E:(10,11)(12,13)/rA:31nCCCCCCCNCONCCNCCCCCCFCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s14;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25FN4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6751 |
Area: | 665.111 |
Solvation: | -3.95267 |
Coulombic: | -69.9246 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 420.479 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.15 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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