Chemical ID: 6883570

Cc1ccccc1NC(=O)COC(=O)c2ccc(cc2)OC
Chemical ID:
6883570
Name [?]:
o-tolylcarbamoylmethyl 4-methoxybenzoate
SMILES [?]:
Cc1ccccc1NC(=O)COC(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C17H17NO4/c1-12-5-3-4-6-15(12)18-16(19)11-22-17(20)13-7-9-14(21-2)10-8-13/h3-10H,11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,4,5,3,6,16,20,17,19,11,2,15,18,7,9,13,8,10,14,21,12/E:(7,8)(9,10)/rA:22nCCCCCCCNCOCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.43769
Area:516.639
Solvation:-4.47829
Coulombic:-48.3307
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):2.24

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Descriptor Annotations

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