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Chemical ID: 6556188
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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