Chemical ID: 5861396

CC(C)C(C(=O)NN=Cc1ccccc1OCc2ccc(cc2)Cl)NC(=O)c3ccc(cc3)F
Chemical ID:
5861396
Name [?]:
N-[1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyleneaminocarbamoyl]-2-methyl-propyl]-4-fluoro-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccccc1OCc2ccc(cc2)Cl)NC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C26H25ClFN3O3/c1-17(2)24(30-25(32)19-9-13-22(28)14-10-19)26(33)31-29-15-20-5-3-4-6-23(20)34-16-18-7-11-21(27)12-8-18/h3-15,17,24H,16H2,1-2H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,11,14,19,23,29,33,20,22,30,32,9,17,2,18,28,10,21,31,15,4,26,5,24,34,8,25,7,27,6,16/E:(1,2)(7,8)(9,10)(11,12)(13,14)/rA:34cCCCCCONNCCCCCCCOCCCCCCCClNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s4;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25ClFN3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.5937
Area:735.397
Solvation:-5.7912
Coulombic:-55.5445
Bond Count [?]
All:36
Single:24
Double:12
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:481.946
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.75
LogP (Chemaxon):5.76

Name Annotations

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Descriptor Annotations

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