Chemical ID: 5376502

c1ccc(cc1)COc2ccc(cc2)NC(=O)COC(=O)c3cccc4c3cccc4
Chemical ID:
5376502
Name [?]:
(4-benzyloxyphenyl)carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)NC(=O)COC(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C26H21NO4/c28-25(18-31-26(29)24-12-6-10-20-9-4-5-11-23(20)24)27-21-13-15-22(16-14-21)30-17-19-7-2-1-3-8-19/h1-16H,17-18H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,30,29,24,3,5,31,25,28,23,11,13,10,14,7,18,4,26,12,9,27,22,16,20,15,17,21,8,19/E:(2,3)(7,8)(13,14)(15,16)/rA:31nCCCCCCCOCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H21NO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.8068
Area:661.549
Solvation:-4.73195
Coulombic:-51.6438
Bond Count [?]
All:34
Single:21
Double:13
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.449
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.59
LogP (Chemaxon):5.2

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Descriptor Annotations

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