Chemical ID: 5874793

COc1ccc(cc1)NC(=O)NCCCN(c2ccccc2)C(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
5874793
Name [?]:
1-(4-methoxyphenyl)-3-[3-[phenyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]propyl]urea
SMILES [?]:
COc1ccc(cc1)NC(=O)NCCCN(c2ccccc2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C25H25F3N4O3/c1-35-22-13-11-19(12-14-22)30-23(33)29-15-6-16-32(21-9-3-2-4-10-21)24(34)31-20-8-5-7-18(17-20)25(26,27)28/h2-5,7-14,17H,6,15-16H2,1H3,(H,31,34)(H2,29,30,33)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,28,14,29,27,18,22,5,7,4,8,13,15,31,30,6,26,17,3,10,23,32,33,34,35,12,9,25,16,11,24,2/E:(3,4)(9,10)(11,12)(13,14)(26,27,28)/rA:35nCOCCCCCCNCONCCCNCCCCCCCONCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s16;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25F3N4O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.3144
Area:735.255
Solvation:-5.06699
Coulombic:-91.6566
Bond Count [?]
All:37
Single:26
Double:11
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:486.486
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.53
LogP (Chemaxon):5.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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