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Chemical ID: 7426108
Chemical ID:
7426108
Name [?]:
6-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-2-oxo-chromene-3-carboxamide
SMILES [?]:
COc1ccccc1NC(=O)c2cc3cc(ccc3oc2=O)Cc4ccccc4Cl
InChi [?]:
InChI=1/C24H18ClNO4/c1-29-22-9-5-4-8-20(22)26-23(27)18-14-17-13-15(10-11-21(17)30-24(18)28)12-16-6-2-3-7-19(16)25/h2-11,13-14H,12H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,26,27,6,5,25,28,7,4,17,18,23,15,13,16,24,14,12,29,8,19,3,10,21,30,9,11,22,2,20/rA:30nCOCCCCCCNCOCCCCCCCCOCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;d21;s16;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18ClNO4 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.894 |
Area: | 626.207 |
Solvation: | -4.7612 |
Coulombic: | -49.7824 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 419.857 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.95 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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