ChemDB: Chemical Search
Download
Chemical ID: 7314889
Chemical ID:
7314889
Name [?]:
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-propyl-acetamide
SMILES [?]:
CCCNC(=O)CSc1nnnn1c2ccc(cc2)O
InChi [?]:
InChI=1/C12H15N5O2S/c1-2-7-13-11(19)8-20-12-14-15-16-17(12)9-3-5-10(18)6-4-9/h3-6,18H,2,7-8H2,1H3,(H,13,19)
InChi Info:
AuxInfo=1/1/N:1,2,15,19,16,18,3,7,14,17,5,9,4,10,11,12,13,20,6,8/E:(3,4)(5,6)/rA:20nCCCNCOCSCNNNNCCCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15N5O2S |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35384 |
Area: | 504.671 |
Solvation: | -3.26295 |
Coulombic: | -42.8625 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 293.346 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.62 |
LogP (Chemaxon): | 1.62 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|