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Chemical ID: 7041337
Chemical ID:
7041337
Name [?]:
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)c(c(o2)C(=O)NCc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C19H19NO3/c1-12-4-9-17-16(10-12)13(2)18(23-17)19(21)20-11-14-5-7-15(22-3)8-6-14/h4-10H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,3,16,20,17,19,4,7,14,2,8,15,18,6,5,9,11,13,12,21,10/E:(5,6)(7,8)/rA:23nCCCCCCCCCOCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO3 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0471 |
Area: | 530.077 |
Solvation: | -3.20486 |
Coulombic: | -40.0907 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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