Chemical ID: 5873866

CCOc1ccc(cc1)CN(C2CCCc3c2cccc3)C(=O)Nc4ccc(cc4)Cl
Chemical ID:
5873866
Name [?]:
3-(4-chlorophenyl)-1-[(4-ethoxyphenyl)methyl]-1-tetralin-1-yl-urea
SMILES [?]:
CCOc1ccc(cc1)CN(C2CCCc3c2cccc3)C(=O)Nc4ccc(cc4)Cl
InChi [?]:
InChI=1/C26H27ClN2O2/c1-2-31-23-16-10-19(11-17-23)18-29(26(30)28-22-14-12-21(27)13-15-22)25-9-5-7-20-6-3-4-8-24(20)25/h3-4,6,8,10-17,25H,2,5,7,9,18H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,14,21,15,18,13,6,8,27,29,26,30,5,9,10,7,16,28,25,4,17,12,22,31,24,11,23,3/E:(10,11)(12,13)(14,15)(16,17)/rA:31cCCOCCCCCCCNCCCCCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s12s16;d17;s18;d19;d16s20;s11;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27ClN2O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.064
Area:646.338
Solvation:-3.09445
Coulombic:-41.9306
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:434.958
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.31
LogP (Chemaxon):6.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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