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Chemical ID: 5376502
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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