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Chemical ID: 5187116
Chemical ID:
5187116
Name [?]:
N-[(2,5-dimethoxyphenyl)methyleneamino]-2-dimethylamino-benzamide
SMILES [?]:
CN(C)c1ccccc1C(=O)NN=Cc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C18H21N3O3/c1-21(2)16-8-6-5-7-15(16)18(22)20-19-12-13-11-14(23-3)9-10-17(13)24-4/h5-12H,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,24,22,7,6,8,5,18,19,16,14,15,17,9,4,20,10,13,12,2,11,23,21/E:(1,2)/rA:24nCNCCCCCCCCONNCCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95976 |
Area: | 527.807 |
Solvation: | -6.23542 |
Coulombic: | -39.1599 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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