Chemical ID: 7384423

Cc1ccc(c(c1)c2cc([nH]n2)C(=O)Nc3nnc(s3)C)O
Chemical ID:
7384423
Name [?]:
5-(2-hydroxy-5-methyl-phenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)c2cc([nH]n2)C(=O)Nc3nnc(s3)C)O
InChi [?]:
InChI=1/C14H13N5O2S/c1-7-3-4-12(20)9(5-7)10-6-11(18-17-10)13(21)15-14-19-16-8(2)22-14/h3-6,20H,1-2H3,(H,17,18)(H,15,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,3,4,7,9,2,19,6,8,10,5,13,16,15,18,12,11,17,22,14,20/rA:22nCCCCCCCCCCNNCONCNNCSCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;d13;s13;s15;d16;s17;d18;s16s19;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N5O2S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.9019
Area:513.01
Solvation:-3.92335
Coulombic:-50.968
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.352
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.18
LogP (Chemaxon):1.67

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Descriptor Annotations

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