Chemical ID: 6840382

Cc1cc(ccc1OC)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
Chemical ID:
6840382
Name [?]:
None
SMILES [?]:
Cc1cc(ccc1OC)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C20H20N2O3S2/c1-11-9-12(7-8-15(11)25-2)14(23)10-26-20-21-18(24)17-13-5-3-4-6-16(13)27-19(17)22-20/h7-9H,3-6,10H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,9,26,25,27,24,5,6,3,12,2,4,19,10,7,20,18,16,22,14,15,23,11,17,8,13,21/rA:27nCCCCCCCOCCOCSCNCOCCCSCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;s12;s13;s14;s15;d16;s16;s18;d19;s20;d18s21;d14s22;s20;s24;s25;s19s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S2
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9685
Area:603.255
Solvation:-4.11288
Coulombic:-42.6766
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:400.516
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.37
LogP (Chemaxon):4.06

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