Chemical ID: 4620890

CC1CCc2c(sc3c2c(=O)n(c(n3)SCC=C)c4ccc(cc4)OC)C1
Chemical ID:
4620890
Name [?]:
None
SMILES [?]:
CC1CCc2c(sc3c2c(=O)n(c(n3)SCC=C)c4ccc(cc4)OC)C1
InChi [?]:
InChI=1/C21H22N2O2S2/c1-4-11-26-21-22-19-18(16-10-5-13(2)12-17(16)27-19)20(24)23(21)14-6-8-15(25-3)9-7-14/h4,6-9,13H,1,5,10-12H2,2-3H3
InChi Info:
AuxInfo=1/0/N:18,1,26,17,3,20,24,21,23,4,16,27,2,19,22,5,6,9,8,10,13,14,12,11,25,15,7/E:(6,7)(8,9)/rA:27cCCCCCCSCCCONCNSCCCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;d17;s12;s19;d20;s21;d22;d19s23;s22;s25;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.1442
Area:599.145
Solvation:-2.8344
Coulombic:-33.5548
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:398.544
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.65
LogP (Chemaxon):5.47

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Descriptor Annotations

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