Chemical ID: 5267268

CN1CCc2c(sc3c2c(=O)n(c(n3)SCCN(C)C)c4ccccc4)C1
Chemical ID:
5267268
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCCN(C)C)c4ccccc4)C1
InChi [?]:
InChI=1/C20H24N4OS2/c1-22(2)11-12-26-20-21-18-17(15-9-10-23(3)13-16(15)27-18)19(25)24(20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,24,23,25,22,26,4,3,17,16,27,21,5,6,9,8,10,13,14,18,2,12,11,15,7/E:(1,2)(5,6)(7,8)/rA:27cCNCCCCSCCCONCNSCCNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s17;s18;s18;s12;s21;d22;s23;d24;d21s25;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N4OS2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.6119
Area:603.621
Solvation:-2.47862
Coulombic:-34.3487
Bond Count [?]
All:30
Single:23
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:400.563
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.44
LogP (Chemaxon):3.28

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Descriptor Annotations

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