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Chemical ID: 6123388
Chemical ID:
6123388
Name [?]:
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-triazole-4-carboxamide
SMILES [?]:
COCCNC(=O)c1c([nH]nn1)NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C12H15N5O4S/c1-21-8-7-13-12(18)10-11(15-17-14-10)16-22(19,20)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,18)(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,4,3,17,8,9,6,5,12,10,13,11,7,15,16,2,14/E:(3,4)(5,6)(19,20)/CRV:22.6/rA:22nCOCCNCOCCNNNNSOOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s9;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15N5O4S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7281 |
Area: | 513.69 |
Solvation: | -4.11415 |
Coulombic: | -51.5938 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 325.345 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.94 |
LogP (Chemaxon): | -0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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