Chemical ID: 5641264

CC(C)(C)c1ccc(cc1)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
Chemical ID:
5641264
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C21H24N2OS2/c1-21(2,3)14-10-8-13(9-11-14)12-25-20-22-18(24)17-15-6-4-5-7-16(15)26-19(17)23-20/h8-11H,4-7,12H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,24,26,23,7,9,6,10,11,8,5,18,19,17,15,21,13,2,14,22,16,12,20/E:(1,2,3)(8,9)(10,11)/rA:26nCCCCCCCCCCCSCNCOCCCSCNCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s15;s17;d18;s19;d17s20;d13s21;s19;s23;s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2OS2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.3478
Area:594.142
Solvation:-1.50573
Coulombic:-30.7521
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.56
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.43
LogP (Chemaxon):6.4

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Descriptor Annotations

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