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Chemical ID: 6610743
Chemical ID:
6610743
Name [?]:
(2,6-diethylphenyl)carbamoylmethyl 3-methoxynaphthalene-2-carboxylate
SMILES [?]:
CCc1cccc(c1NC(=O)COC(=O)c2cc3ccccc3cc2OC)CC
InChi [?]:
InChI=1/C24H25NO4/c1-4-16-11-8-12-17(5-2)23(16)25-22(26)15-29-24(27)20-13-18-9-6-7-10-19(18)14-21(20)28-3/h6-14H,4-5,15H2,1-3H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,27,2,28,20,21,5,19,22,4,6,17,24,12,3,7,18,23,16,25,10,8,14,9,11,15,26,13/E:(1,2)(4,5)(11,12)(16,17)/rA:29nCCCCCCCCNCOCOCOCCCCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s20;d21;s18s22;d23;d16s24;s25;s26;s7;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.755 |
Area: | 630.925 |
Solvation: | -5.01811 |
Coulombic: | -48.9831 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 391.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.26 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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