Chemical ID: 6602545

CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)Nc2cccc3c2cccc3
Chemical ID:
6602545
Name [?]:
1-naphthylcarbamoylmethyl 4-tert-butylbenzoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C23H23NO3/c1-23(2,3)18-13-11-17(12-14-18)22(26)27-15-21(25)24-20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,15H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,26,25,20,27,21,24,19,7,9,6,10,14,22,8,5,23,18,15,11,2,17,16,12,13/E:(1,2,3)(11,12)(13,14)/rA:27nCCCCCCCCCCCOOCCONCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6951
Area:597.844
Solvation:-3.25094
Coulombic:-44.0442
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:361.434
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.78
LogP (Chemaxon):5.31

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Descriptor Annotations

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