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Chemical ID: 6123415
Chemical ID:
6123415
Name [?]:
N-(2-methoxyethyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)NCCOC
InChi [?]:
InChI=1/C13H17N5O4S/c1-9-3-5-10(6-4-9)23(20,21)17-12-11(15-18-16-12)13(19)14-7-8-22-2/h3-6H,7-8H2,1-2H3,(H,14,19)(H2,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,4,6,20,21,2,5,13,12,17,19,14,16,11,15,18,9,10,22,8/E:(3,4)(5,6)(20,21)/CRV:23.6/rA:23nCCCCCCCSOONCCNNNCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s13;d14;s12s15;s13;d17;s17;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17N5O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2642 |
Area: | 535.204 |
Solvation: | -4.1159 |
Coulombic: | -51.3537 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.37 |
LogP (Chemaxon): | -0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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