Chemical ID: 7314889

CCCNC(=O)CSc1nnnn1c2ccc(cc2)O
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

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Descriptor Annotations

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