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Chemical ID: 5860908
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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