Chemical ID: 4333130

CC(C)Oc1ccc(cc1)c2[nH]c(=O)c3c4c(sc3n2)CCCC4
Chemical ID:
4333130
Name [?]:
None
SMILES [?]:
CC(C)Oc1ccc(cc1)c2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C19H20N2O2S/c1-11(2)23-13-9-7-12(8-10-13)17-20-18(22)16-14-5-3-4-6-15(14)24-19(16)21-17/h7-11H,3-6H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,21,7,9,6,10,2,8,5,16,17,15,11,13,19,12,20,14,4,18/E:(1,2)(7,8)(9,10)/rA:24nCCCOCCCCCCCNCOCCCSCNCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d15s18;d11s19;s17;s21;s22;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8232
Area:533.882
Solvation:-2.52389
Coulombic:-35.8773
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.44
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.17
LogP (Chemaxon):4.34

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