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Chemical ID: 5559042
Chemical ID:
5559042
Name [?]:
2-naphthylcarbamoylmethyl 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)OCC(=O)Nc2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H17NO3/c1-14-6-8-16(9-7-14)20(23)24-13-19(22)21-18-11-10-15-4-2-3-5-17(15)12-18/h2-12H,13H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,3,7,4,6,17,16,24,11,2,18,5,23,15,12,8,14,13,9,10/E:(6,7)(8,9)/rA:24nCCCCCCCCOOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1813 |
Area: | 540.968 |
Solvation: | -3.34286 |
Coulombic: | -42.848 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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