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Chemical ID: 7494402
Chemical ID:
7494402
Name [?]:
methyl 2-(2-propoxybenzoyl)aminobenzoate
SMILES [?]:
CCCOc1ccccc1C(=O)Nc2ccccc2C(=O)OC
InChi [?]:
InChI=1/C18H19NO4/c1-3-12-23-16-11-7-5-9-14(16)17(20)19-15-10-6-4-8-13(15)18(21)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,17,8,16,7,18,9,15,6,3,19,10,14,5,11,20,13,12,21,22,4/rA:23nCCCOCCCCCCCONCCCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO4 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0781 |
Area: | 524.524 |
Solvation: | -4.035 |
Coulombic: | -49.6186 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 313.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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