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Chemical ID: 7010338
Chemical ID:
7010338
Name [?]:
N-[(4-dimethylaminophenyl)methyleneamino]-3-(4-methoxyphenyl)-benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C=NNC(=O)c2cccc(c2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H23N3O2/c1-26(2)21-11-7-17(8-12-21)16-24-25-23(27)20-6-4-5-19(15-20)18-9-13-22(28-3)14-10-18/h4-16H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,28,17,18,16,6,8,22,26,5,9,23,25,20,10,7,21,19,15,4,24,13,11,12,2,14,27/E:(1,2)(7,8)(9,10)(11,12)(13,14)/rA:28nCNCCCCCCCCNNCOCCCCCCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N3O2 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6556 |
Area: | 640.811 |
Solvation: | -5.36464 |
Coulombic: | -34.5526 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 373.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.06 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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