Chemical ID: 5317488

COc1ccc(cc1)Cc2[nH]c(nn2)SCC(=O)NC3CCCCC3
Chemical ID:
5317488
Name [?]:
N-cyclohexyl-2-[[5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
COc1ccc(cc1)Cc2[nH]c(nn2)SCC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C18H24N4O2S/c1-24-15-9-7-13(8-10-15)11-16-20-18(22-21-16)25-12-17(23)19-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,23)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,5,7,4,8,9,16,6,20,3,10,17,12,19,11,14,13,18,2,15/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCOCCCCCCCCNCNNSCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;d10s13;s12;s15;s16;d17;s17;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.786
Area:599.367
Solvation:-4.19819
Coulombic:-44.2304
Bond Count [?]
All:27
Single:21
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:360.475
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.22
LogP (Chemaxon):2.06

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Descriptor Annotations

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