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Chemical ID: 5375441
Chemical ID:
5375441
Name [?]:
(ethyl-(1-naphthyl)carbamoyl)methyl 4-hydroxybenzoate
SMILES [?]:
CCN(c1cccc2c1cccc2)C(=O)COC(=O)c3ccc(cc3)O
InChi [?]:
InChI=1/C21H19NO4/c1-2-22(19-9-5-7-15-6-3-4-8-18(15)19)20(24)14-26-21(25)16-10-12-17(23)13-11-16/h3-13,23H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,13,7,10,5,21,25,22,24,16,8,20,23,9,4,14,18,3,26,15,19,17/E:(10,11)(12,13)/rA:26nCCNCCCCCCCCCCCOCOCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80038 |
Area: | 565.954 |
Solvation: | -4.34848 |
Coulombic: | -53.8379 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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