Chemical ID: 5860908

CC(C)C(C(=O)NN=Cc1ccccc1OCc2ccc(c(c2)Cl)Cl)NC(=O)c3ccccc3
Chemical ID:
5860908
Name [?]:
N-[1-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyleneaminocarbamoyl]-2-methyl-propyl]benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccccc1OCc2ccc(c(c2)Cl)Cl)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C26H25Cl2N3O3/c1-17(2)24(30-25(32)19-8-4-3-5-9-19)26(33)31-29-15-20-10-6-7-11-23(20)34-16-18-12-13-21(27)22(28)14-18/h3-15,17,24H,16H2,1-2H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,3,32,31,33,12,13,30,34,11,14,19,20,23,9,17,2,18,29,10,21,22,15,4,27,5,25,24,8,26,7,28,6,16/E:(1,2)(4,5)(8,9)/rA:34cCCCCCONNCCCCCCCOCCCCCCCClClNCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;s21;s4;s26;d27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25Cl2N3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.0852
Area:764.644
Solvation:-5.03093
Coulombic:-52.8771
Bond Count [?]
All:36
Single:24
Double:12
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:498.401
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:7.22
LogP (Chemaxon):6.14

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Descriptor Annotations

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