Chemical ID: 3944660

Cc1ccc(cc1)CN(Cc2ccccc2OC)C(=O)c3cc4ccccc4oc3=O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue