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Chemical ID: 3944660
Chemical ID:
3944660
Name [?]:
N-[(2-methoxyphenyl)methyl]-2-oxo-N-(p-tolylmethyl)chromene-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)CN(Cc2ccccc2OC)C(=O)c3cc4ccccc4oc3=O
InChi [?]:
InChI=1/C26H23NO4/c1-18-11-13-19(14-12-18)16-27(17-21-8-4-5-9-23(21)30-2)25(28)22-15-20-7-3-6-10-24(20)31-26(22)29/h3-15H,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,25,13,14,26,24,12,15,27,3,7,4,6,22,8,10,2,5,23,11,21,16,28,19,30,9,20,31,17,29/E:(11,12)(13,14)/rA:31nCCCCCCCCNCCCCCCCOCCOCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s9;d19;s19;d21;s22;s23;d24;s25;d26;d23s27;s28;s21s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23NO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53683 |
Area: | 601.347 |
Solvation: | -5.49684 |
Coulombic: | -44.2132 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 413.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.01 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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