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Chemical ID: 6608679
Chemical ID:
6608679
Name [?]:
1-[(4-ethylphenyl)carbamoyl]ethyl 3-hydroxynaphthalene-2-carboxylate
SMILES [?]:
CCc1ccc(cc1)NC(=O)C(C)OC(=O)c2cc3ccccc3cc2O
InChi [?]:
InChI=1/C22H21NO4/c1-3-15-8-10-18(11-9-15)23-21(25)14(2)27-22(26)19-12-16-6-4-5-7-17(16)13-20(19)24/h4-14,24H,3H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,13,2,21,22,20,23,4,8,5,7,18,25,12,3,19,24,6,17,26,10,15,9,27,11,16,14/E:(8,9)(10,11)/rA:27cCCCCCCCCNCOCCOCOCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s12;s14;d15;s15;s17;d18;s19;d20;s21;d22;s19s23;d24;d17s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7456 |
Area: | 593.384 |
Solvation: | -4.08901 |
Coulombic: | -58.5999 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.97 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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