Chemical ID: 4488917

Cc1csc(n1)NC(=O)CSc2nnc(n2C)CCCc3ccc(cc3)OC
Chemical ID:
4488917
Name [?]:
2-[[5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1csc(n1)NC(=O)CSc2nnc(n2C)CCCc3ccc(cc3)OC
InChi [?]:
InChI=1/C19H23N5O2S2/c1-13-11-27-18(20-13)21-17(25)12-28-19-23-22-16(24(19)2)6-4-5-14-7-9-15(26-3)10-8-14/h7-11H,4-6,12H2,1-3H3,(H,20,21,25)
InChi Info:
AuxInfo=1/1/N:1,17,28,19,20,18,22,26,23,25,3,10,2,21,24,15,8,5,12,6,7,14,13,16,9,27,4,11/E:(7,8)(9,10)/rA:28nCCCSCNNCOCSCNNCNCCCCCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s16;s15;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N5O2S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7104
Area:670.997
Solvation:-5.06458
Coulombic:-43.7028
Bond Count [?]
All:30
Single:22
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.55
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):3.1

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