Chemical ID: 6285123

CCn1c2ccc3ccccc3c2sc1=NC(=O)c4c(cccc4OC)OC
Chemical ID:
6285123
Name [?]:
None
SMILES [?]:
CCn1c2ccc3ccccc3c2sc1=NC(=O)c4c(cccc4OC)OC
InChi [?]:
InChI=1/C22H20N2O3S/c1-4-24-16-13-12-14-8-5-6-9-15(14)20(16)28-22(24)23-21(25)19-17(26-2)10-7-11-18(19)27-3/h5-13H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,28,2,9,10,22,8,11,23,21,6,5,7,12,4,24,20,19,13,17,15,16,3,18,25,27,14/E:(2,3)(10,11)(17,18)(26,27)/rA:28nCCNCCCCCCCCCCSCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;s3s14;w15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s25;s20;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.61561
Area:561.745
Solvation:-4.42802
Coulombic:-40.1593
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:392.472
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.37
LogP (Chemaxon):5.46

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