Chemical ID: 7331126

CC(=O)c1ccc(cc1)NC(=O)COC(=O)c2cccc3c2cccc3
Chemical ID:
7331126
Name [?]:
(4-acetylphenyl)carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)COC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C21H17NO4/c1-14(23)15-9-11-17(12-10-15)22-20(24)13-26-21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,19,26,20,23,18,5,9,6,8,13,2,4,21,7,22,17,11,15,10,3,12,16,14/E:(9,10)(11,12)/rA:26nCCOCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;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:9.95641
Area:569.986
Solvation:-4.29325
Coulombic:-49.7593
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:3.8
LogP (Chemaxon):2.99

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Descriptor Annotations

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