Chemical ID: 4836045

CC(C)(C)NC(=O)CSc1nnnn1c2ccc(cc2)O
Chemical ID:
4836045
Name [?]:
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)CSc1nnnn1c2ccc(cc2)O
InChi [?]:
InChI=1/C13H17N5O2S/c1-13(2,3)14-11(20)8-21-12-15-16-17-18(12)9-4-6-10(19)7-5-9/h4-7,19H,8H2,1-3H3,(H,14,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,20,17,19,8,15,18,6,10,2,5,11,12,13,14,21,7,9/E:(1,2,3)(4,5)(6,7)/rA:21nCCCCNCOCSCNNNNCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N5O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.6053
Area:506.195
Solvation:-3.04957
Coulombic:-42.6596
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.373
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.14
LogP (Chemaxon):1.64

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