Chemical ID: 6876135

Cc1ccc(c(c1)NC(=O)COC(=O)c2cccc3c2cccc3)C
Chemical ID:
6876135
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COC(=O)c2cccc3c2cccc3)C
InChi [?]:
InChI=1/C21H19NO3/c1-14-10-11-15(2)19(12-14)22-20(23)13-25-21(24)18-9-5-7-16-6-3-4-8-17(16)18/h3-12H,13H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,23,22,17,24,18,21,16,3,4,7,11,2,5,19,20,15,6,9,13,8,10,14,12/rA:25nCCCCCCCNCOCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO3
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6418
Area:551.539
Solvation:-3.14666
Coulombic:-43.0778
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.38
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.62
LogP (Chemaxon):3.96

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