Chemical ID: 5876860

Cc1cccc(c1)NC(=O)NCCN(c2ccc(cc2)F)C(=O)Nc3ccccc3C
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

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Descriptor Annotations

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