Chemical ID: 6869476

CC(C)c1ccccc1NC(=O)COC(=O)c2cccc3c2cccc3
Chemical ID:
6869476
Name [?]:
(2-isopropylphenyl)carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
CC(C)c1ccccc1NC(=O)COC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C22H21NO3/c1-15(2)17-10-5-6-13-20(17)23-21(24)14-26-22(25)19-12-7-9-16-8-3-4-11-18(16)19/h3-13,15H,14H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,25,24,6,7,19,26,20,5,23,18,8,13,2,21,4,22,17,9,11,15,10,12,16,14/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;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO3
All Atoms:47
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2677
Area:576.351
Solvation:-3.14111
Coulombic:-43.9323
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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