Chemical ID: 6597322

Cc1ccc(c(c1)C)NC(=O)COC(=O)c2ccc(cc2)Oc3ccccc3
Chemical ID:
6597322
Name [?]:
(2,4-dimethylphenyl)carbamoylmethyl 4-phenoxybenzoate
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COC(=O)c2ccc(cc2)Oc3ccccc3
InChi [?]:
InChI=1/C23H21NO4/c1-16-8-13-21(17(2)14-16)24-22(25)15-27-23(26)18-9-11-20(12-10-18)28-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,26,25,27,24,28,3,17,21,18,20,4,7,12,2,6,16,23,19,5,10,14,9,11,15,13,22/E:(4,5)(6,7)(9,10)(11,12)/rA:28nCCCCCCCCNCOCOCOCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3374
Area:618.693
Solvation:-4.12989
Coulombic:-50.0426
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.417
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.84
LogP (Chemaxon):4.39

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Descriptor Annotations

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