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Chemical ID: 6602545
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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