Chemical ID: 4874482

CCCCCSc1c2c(c3c4c(c(nc3s2)CC(C)C)COC(C4)(C)C)ncn1
Chemical ID:
4874482
Name [?]:
None
SMILES [?]:
CCCCCSc1c2c(c3c4c(c(nc3s2)CC(C)C)COC(C4)(C)C)ncn1
InChi [?]:
InChI=1/C23H31N3OS2/c1-6-7-8-9-28-22-20-19(24-13-25-22)18-15-11-23(4,5)27-12-16(15)17(10-14(2)3)26-21(18)29-20/h13-14H,6-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,19,20,25,26,2,3,4,5,17,24,21,28,18,11,12,13,10,9,8,15,7,23,27,29,14,22,6,16/E:(2,3)(4,5)/rA:29nCCCCCSCCCCCCCNCSCCCCCOCCCCNCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s13;s17;s18;s18;s12;s21;s22;s11s23;s23;s23;s9;d27;d7s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3OS2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.7762
Area:652.536
Solvation:-2.53718
Coulombic:-26.864
Bond Count [?]
All:32
Single:26
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.644
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.53
LogP (Chemaxon):6.44

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Descriptor Annotations

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