Chemical ID: 4090385

CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
Chemical ID:
4090385
Name [?]:
ethyl 2-[4-(2-furylcarbonyl)-5-phenyl-triazol-1-yl]acetate
SMILES [?]:
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
InChi [?]:
InChI=1/C17H15N3O4/c1-2-23-14(21)11-20-16(12-7-4-3-5-8-12)15(18-19-20)17(22)13-9-6-10-24-13/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,16,20,24,15,17,6,19,14,4,9,8,12,10,11,7,5,13,3,18/E:(4,5)(7,8)/rA:24nCCOCOCNCCNNCOCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;s7d10;s9;d12;s12;d14;s15;d16;s14s17;s8;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.90007
Area:525.831
Solvation:-4.2457
Coulombic:-40.7566
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:325.319
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.25
LogP (Chemaxon):1.62

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Descriptor Annotations

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