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Chemical ID: 6337796
Chemical ID:
6337796
Name [?]:
N-[(5-dimethylamino-2-furyl)methyleneamino]-2-(1-methylpyrrol-2-yl)-acetamide
SMILES [?]:
Cn1cccc1CC(=O)NN=Cc2ccc(o2)N(C)C
InChi [?]:
InChI=1/C14H18N4O2/c1-17(2)14-7-6-12(20-14)10-15-16-13(19)9-11-5-4-8-18(11)3/h4-8,10H,9H2,1-3H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:19,20,1,4,5,14,15,3,7,12,6,13,8,16,11,10,18,2,9,17/E:(1,2)/rA:20nCNCCCCCCONNCCCCCONCC/rB:s1;s2;d3;s4;s2d5;s6;s7;d8;s8;s10;w11;s12;d13;s14;d15;s13s16;s16;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N4O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24629 |
Area: | 482.723 |
Solvation: | -4.82178 |
Coulombic: | -36.0457 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.32 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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