Chemical ID: 7300030

CC(=O)c1ccccc1NC(=O)COC(=O)c2cccc3c2cccc3
Chemical ID:
7300030
Name [?]:
(2-acetylphenyl)carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
CC(=O)c1ccccc1NC(=O)COC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C21H17NO4/c1-14(23)16-9-4-5-12-19(16)22-20(24)13-26-21(25)18-11-6-8-15-7-2-3-10-17(15)18/h2-12H,13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,6,7,19,26,20,5,23,18,8,13,2,21,4,22,17,9,11,15,10,3,12,16,14/rA:26nCCOCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17NO4
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.197
Area:561.873
Solvation:-3.84983
Coulombic:-50.4309
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:347.364
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.23
LogP (Chemaxon):3.64

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