Chemical ID: 6631082

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C
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

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Descriptor Annotations

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