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Chemical ID: 7020698
Chemical ID:
7020698
Name [?]:
N-[3-[(4-dimethylaminophenyl)methyleneaminocarbamoyl]propyl]benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C=NNC(=O)CCCNC(=O)c2ccccc2
InChi [?]:
InChI=1/C20H24N4O2/c1-24(2)18-12-10-16(11-13-18)15-22-23-19(25)9-6-14-21-20(26)17-7-4-3-5-8-17/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,21,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,24,23,25,16,22,26,15,6,8,5,9,17,10,7,21,4,13,19,18,11,12,2,14,20/E:(1,2)(4,5)(7,8)(10,11)(12,13)/rA:26nCNCCCCCCCCNNCOCCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N4O2 |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8398 |
Area: | 636.779 |
Solvation: | -5.07962 |
Coulombic: | -46.4995 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 352.43 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.89 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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