Chemical ID: 4650979

Cc1cccc(c1)n2c(=O)c3c4c(sc3nc2SCCC(C)C)COC(C4)(C)C
Chemical ID:
4650979
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)n2c(=O)c3c4c(sc3nc2SCCC(C)C)COC(C4)(C)C
InChi [?]:
InChI=1/C23H28N2O2S2/c1-14(2)9-10-28-22-24-20-19(17-12-23(4,5)27-13-18(17)29-20)21(26)25(22)16-8-6-7-15(3)11-16/h6-8,11,14H,9-10,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:22,23,1,28,29,4,3,5,20,19,7,27,24,21,2,6,12,13,11,15,9,17,26,16,8,10,25,18,14/E:(1,2)(4,5)/rA:29nCCCCCCCNCOCCCSCNCSCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d11s14;s15;s8d16;s17;s18;s19;s20;s21;s21;s13;s24;s25;s12s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N2O2S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.3908
Area:644.481
Solvation:-2.72127
Coulombic:-33.6939
Bond Count [?]
All:32
Single:25
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:428.613
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.71
LogP (Chemaxon):5.8

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Descriptor Annotations

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