Chemical ID: 3853634

COc1ccc(cc1)CN(c2ccc(cc2)OC)C(=O)c3cc4ccccc4oc3=O
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

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Descriptor Annotations

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