Chemical ID: 5493391

c1ccc(cc1)c2ccc(cc2)C(=O)OCC(=O)Nc3cccc4c3cccc4
Chemical ID:
5493391
Name [?]:
1-naphthylcarbamoylmethyl 4-phenylbenzoate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)OCC(=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C25H19NO3/c27-24(26-23-12-6-10-20-9-4-5-11-22(20)23)17-29-25(28)21-15-13-19(14-16-21)18-7-2-1-3-8-18/h1-16H,17H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,28,27,22,3,5,29,23,26,21,8,12,9,11,16,4,7,24,10,25,20,17,13,19,18,14,15/E:(2,3)(7,8)(13,14)(15,16)/rA:29nCCCCCCCCCCCCCOOCCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.9477
Area:623.798
Solvation:-3.64722
Coulombic:-44.7739
Bond Count [?]
All:32
Single:19
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.423
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.9
LogP (Chemaxon):5.36

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Descriptor Annotations

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