Chemical ID: 5535955

Cc1ccc(cc1)COc2ccccc2C=NNC(=O)C(C(C)C)NC(=O)c3ccc(cc3)C
Chemical ID:
5535955
Name [?]:
4-methyl-N-[2-methyl-1-[[2-(p-tolylmethoxy)phenyl]methyleneaminocarbamoyl]propyl]-benzamide
SMILES [?]:
Cc1ccc(cc1)COc2ccccc2C=NNC(=O)C(C(C)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C28H31N3O3/c1-19(2)26(30-27(32)23-15-11-21(4)12-16-23)28(33)31-29-17-24-7-5-6-8-25(24)34-18-22-13-9-20(3)10-14-22/h5-17,19,26H,18H2,1-4H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:23,24,1,34,13,12,14,11,3,7,30,32,4,6,29,33,16,8,22,2,31,5,28,15,10,21,26,19,17,25,18,27,20,9/E:(1,2)(9,10)(11,12)(13,14)(15,16)/rA:34cCCCCCCCCOCCCCCCCNNCOCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;w16;s17;s18;d19;s19;s21;s22;s22;s21;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H31N3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.4594
Area:740.399
Solvation:-5.05059
Coulombic:-52.1404
Bond Count [?]
All:36
Single:24
Double:12
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:457.564
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.85
LogP (Chemaxon):6.03

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