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Chemical ID: 7301714
Chemical ID:
7301714
Name [?]:
(2-acetylphenyl)carbamoylmethyl 3-hydroxynaphthalene-2-carboxylate
SMILES [?]:
CC(=O)c1ccccc1NC(=O)COC(=O)c2cc3ccccc3cc2O
InChi [?]:
InChI=1/C21H17NO5/c1-13(23)16-8-4-5-9-18(16)22-20(25)12-27-21(26)17-10-14-6-2-3-7-15(14)11-19(17)24/h2-11,24H,12H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,21,22,6,7,20,23,5,8,18,25,13,2,19,24,4,17,9,26,11,15,10,3,27,12,16,14/rA:27nCCOCCCCCCNCOCOCOCCCCCCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;s21;d22;s19s23;d24;d17s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO5 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43246 |
Area: | 578.679 |
Solvation: | -5.03452 |
Coulombic: | -64.7269 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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