Chemical ID: 3855331

CCN(CC)C(=O)CSc1nnc(n1CCCOC)c2ccncc2
Chemical ID:
3855331
Name [?]:
N,N-diethyl-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCN(CC)C(=O)CSc1nnc(n1CCCOC)c2ccncc2
InChi [?]:
InChI=1/C17H25N5O2S/c1-4-21(5-2)15(23)13-25-17-20-19-16(14-7-9-18-10-8-14)22(17)11-6-12-24-3/h7-10H,4-6,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,19,2,4,16,21,25,22,24,15,17,8,20,6,13,10,23,12,11,3,14,7,18,9/E:(1,2)(4,5)(7,8)(9,10)/rA:25nCCNCCCOCSCNNCNCCCOCCCCNCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;s10s13;s14;s15;s16;s17;s18;s13;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N5O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2783
Area:608.27
Solvation:-4.92847
Coulombic:-39.5358
Bond Count [?]
All:26
Single:20
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:363.479
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.87
LogP (Chemaxon):0.65

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Descriptor Annotations

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