Chemical ID: 5576379

C=CCn1c(nnc1SCC(=O)Nc2cccc(c2)S(=O)(=O)N)C3CCCCC3
Chemical ID:
5576379
Name [?]:
2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)-acetamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)Nc2cccc(c2)S(=O)(=O)N)C3CCCCC3
InChi [?]:
InChI=1/C19H25N5O3S2/c1-2-11-24-18(14-7-4-3-5-8-14)22-23-19(24)28-13-17(25)21-15-9-6-10-16(12-15)29(20,26)27/h2,6,9-10,12,14H,1,3-5,7-8,11,13H2,(H,21,25)(H2,20,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,27,26,28,16,25,29,15,17,3,19,10,24,14,18,11,5,8,23,13,6,7,4,12,21,22,9,20/E:(4,5)(7,8)(26,27)/CRV:29.6/rA:29nCCCNCNNCSCCONCCCCCCSOONCCCCCC/rB:d1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;d20;s20;s5;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N5O3S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5594
Area:663.229
Solvation:-4.02136
Coulombic:-49.3583
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:435.566
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.8
LogP (Chemaxon):2.54

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Descriptor Annotations

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