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Chemical ID: 6394308
Chemical ID:
6394308
Name [?]:
4-dimethylamino-N-[(3-methoxyphenyl)methyleneamino]benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)NN=Cc2cccc(c2)OC
InChi [?]:
InChI=1/C17H19N3O2/c1-20(2)15-9-7-14(8-10-15)17(21)19-18-12-13-5-4-6-16(11-13)22-3/h4-12H,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,22,17,16,18,6,8,5,9,20,14,15,7,4,19,10,13,12,2,11,21/E:(1,2)(7,8)(9,10)/rA:22nCNCCCCCCCCONNCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18364 |
Area: | 512.343 |
Solvation: | -4.62494 |
Coulombic: | -33.2327 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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