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Chemical ID: 4442154
Chemical ID:
4442154
Name [?]:
methyl 2-methyl-3-(3,4,5-trimethoxybenzoyl)amino-benzoate
SMILES [?]:
Cc1c(cccc1NC(=O)c2cc(c(c(c2)OC)OC)OC)C(=O)OC
InChi [?]:
InChI=1/C19H21NO6/c1-11-13(19(22)26-5)7-6-8-14(11)20-18(21)12-9-15(23-2)17(25-4)16(10-12)24-3/h6-10H,1-5H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,22,20,26,5,4,6,16,12,2,11,3,7,15,13,14,9,23,8,10,24,17,21,19,25/E:(2,3)(9,10)(15,16)(23,24)/rA:26nCCCCCCCNCOCCCCCCOCOCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s13;s21;s3;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.18343 |
Area: | 568.125 |
Solvation: | -7.01968 |
Coulombic: | -61.8276 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 359.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.5 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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