Chemical ID: 6556329

CC(C)c1ccccc1NC(=O)COC(=O)c2ccc3ccccc3c2
Chemical ID:
6556329
Name [?]:
(2-isopropylphenyl)carbamoylmethyl naphthalene-2-carboxylate
SMILES [?]:
CC(C)c1ccccc1NC(=O)COC(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C22H21NO3/c1-15(2)19-9-5-6-10-20(19)23-21(24)14-26-22(25)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,6,7,21,24,5,8,19,18,26,13,2,20,25,17,4,9,11,15,10,12,16,14/E:(1,2)/rA:26nCCCCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3477
Area:584.754
Solvation:-3.27114
Coulombic:-43.6045
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:347.407
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.16
LogP (Chemaxon):4.22

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