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Chemical ID: 6631082
Chemical ID:
6631082
Name [?]:
[4-(acetamidoiminomethyl)phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C
InChi [?]:
InChI=1/C19H20N2O4/c1-3-12-24-17-10-6-16(7-11-17)19(23)25-18-8-4-15(5-9-18)13-20-21-14(2)22/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,16,18,7,9,15,19,6,10,3,20,23,17,8,5,14,11,21,22,24,12,4,13/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCOCCCCCCCOOCCCCCCCNNCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46608 |
Area: | 590.568 |
Solvation: | -5.29813 |
Coulombic: | -44.8202 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 340.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.47 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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