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Chemical ID: 3889216
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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