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Chemical ID: 6398165
Chemical ID:
6398165
Name [?]:
dimethyl 5-(3-methylbenzoyl)aminobenzene-1,3-dicarboxylate
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C18H17NO5/c1-11-5-4-6-12(7-11)16(20)19-15-9-13(17(21)23-2)8-14(10-15)18(22)24-3/h4-10H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,24,4,3,5,7,14,16,12,2,6,15,13,11,8,17,21,10,9,18,22,19,23/E:(2,3)(9,10)(13,14)(17,18)(21,22)(23,24)/rA:24nCCCCCCCCONCCCCCCCOOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s13;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2163 |
Area: | 554.531 |
Solvation: | -3.64701 |
Coulombic: | -60.8943 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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