Chemical ID: 3874286

CC(C)(C)NC(=O)CSc1nnc(n1CCOC)COc2cccc(c2)OC
Chemical ID:
3874286
Name [?]:
2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)CSc1nnc(n1CCOC)COc2cccc(c2)OC
InChi [?]:
InChI=1/C19H28N4O4S/c1-19(2,3)20-17(24)13-28-18-22-21-16(23(18)9-10-25-4)12-27-15-8-6-7-14(11-15)26-5/h6-8,11H,9-10,12-13H2,1-5H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,28,23,24,22,15,16,26,19,8,25,21,13,6,10,2,5,12,11,14,7,17,27,20,9/E:(1,2,3)/rA:28nCCCCNCOCSCNNCNCCOCCOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s14;s15;s16;s17;s13;s19;s20;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28N4O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.3528
Area:668.053
Solvation:-6.34853
Coulombic:-55.1446
Bond Count [?]
All:29
Single:23
Double:6
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:408.516
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.67
LogP (Chemaxon):1.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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