Chemical ID: 6902079

CCc1ccc(cc1)NC(=O)COC(=O)c2cccc3c2cccc3
Chemical ID:
6902079
Name [?]:
(4-ethylphenyl)carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
CCc1ccc(cc1)NC(=O)COC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C21H19NO3/c1-2-15-10-12-17(13-11-15)22-20(23)14-25-21(24)19-9-5-7-16-6-3-4-8-18(16)19/h3-13H,2,14H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,18,25,19,22,17,4,8,5,7,12,3,20,6,21,16,10,14,9,11,15,13/E:(10,11)(12,13)/rA:25nCCCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO3
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8246
Area:560.806
Solvation:-3.19553
Coulombic:-43.453
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.38
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.86
LogP (Chemaxon):4.54

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Descriptor Annotations

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