Chemical ID: 6556188

CN(c1ccccc1)C(=O)COC(=O)c2cccc3c2cccc3
Chemical ID:
6556188
Name [?]:
(methyl-phenyl-carbamoyl)methyl naphthalene-1-carboxylate
SMILES [?]:
CN(c1ccccc1)C(=O)COC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C20H17NO3/c1-21(16-10-3-2-4-11-16)19(22)14-24-20(23)18-13-7-9-15-8-5-6-12-17(15)18/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,23,22,17,24,18,4,8,21,16,11,19,3,20,15,9,13,2,10,14,12/E:(3,4)(10,11)/rA:24nCNCCCCCCCOCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0324
Area:534.515
Solvation:-3.33042
Coulombic:-38.8171
Bond Count [?]
All:26
Single:16
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:319.354
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.1
LogP (Chemaxon):3.45

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Descriptor Annotations

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