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Chemical ID: 3853634
Chemical ID:
3853634
Name [?]:
N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-chromene-3-carboxamide
SMILES [?]:
COc1ccc(cc1)CN(c2ccc(cc2)OC)C(=O)c3cc4ccccc4oc3=O
InChi [?]:
InChI=1/C25H21NO5/c1-29-20-11-7-17(8-12-20)16-26(19-9-13-21(30-2)14-10-19)24(27)22-15-18-5-3-4-6-23(18)31-25(22)28/h3-15H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,25,26,24,27,5,7,12,16,4,8,13,15,22,9,6,23,11,3,14,21,28,19,30,10,20,31,2,17,29/E:(7,8)(9,10)(11,12)(13,14)/rA:31nCOCCCCCCCNCCCCCCOCCOCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s10;d19;s19;d21;s22;s23;d24;s25;d26;d23s27;s28;s21s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21NO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29685 |
Area: | 627.624 |
Solvation: | -6.39375 |
Coulombic: | -50.6531 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 415.438 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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