Chemical ID: 3889216

CCCCOc1ccc(cc1)c2nnn(n2)CC(=O)NCCOC
Chemical ID:
3889216
Name [?]:
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
SMILES [?]:
CCCCOc1ccc(cc1)c2nnn(n2)CC(=O)NCCOC
InChi [?]:
InChI=1/C16H23N5O3/c1-3-4-10-24-14-7-5-13(6-8-14)16-18-20-21(19-16)12-15(22)17-9-11-23-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,8,10,7,11,21,4,22,17,9,6,18,12,20,13,16,14,15,19,23,5/E:(5,6)(7,8)/rA:24nCCCCOCCCCCCCNNNNCCONCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d12s15;s15;s17;d18;s18;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23N5O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.20615
Area:596.184
Solvation:-5.69845
Coulombic:-41.2388
Bond Count [?]
All:25
Single:19
Double:6
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:333.386
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.46
LogP (Chemaxon):1.28

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