Chemical ID: 7301714

CC(=O)c1ccccc1NC(=O)COC(=O)c2cc3ccccc3cc2O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue