Chemical ID: 5268067

CN1CCc2c(sc3c2c(=O)n(c(n3)SCCOC)c4ccc(cc4)OC)C1
Chemical ID:
5268067
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCCOC)c4ccc(cc4)OC)C1
InChi [?]:
InChI=1/C20H23N3O3S2/c1-22-9-8-15-16(12-22)28-18-17(15)19(24)23(20(21-18)27-11-10-25-2)13-4-6-14(26-3)7-5-13/h4-7H,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,27,21,25,22,24,4,3,17,16,28,20,23,5,6,9,8,10,13,14,2,12,11,18,26,15,7/E:(4,5)(6,7)/rA:28cCNCCCCSCCCONCNSCCOCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s17;s18;s12;s20;d21;s22;d23;d20s24;s23;s26;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3O3S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.7335
Area:621.085
Solvation:-4.79358
Coulombic:-43.1753
Bond Count [?]
All:31
Single:24
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:417.547
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.31
LogP (Chemaxon):2.88

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Descriptor Annotations

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