Chemical ID: 7426108

COc1ccccc1NC(=O)c2cc3cc(ccc3oc2=O)Cc4ccccc4Cl
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

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