Chemical ID: 4911820

Cc1c(c2ccccc2c3c1sc(n3)Nc4ccc(cc4)OC)O
Chemical ID:
4911820
Name [?]:
None
SMILES [?]:
Cc1c(c2ccccc2c3c1sc(n3)Nc4ccc(cc4)OC)O
InChi [?]:
InChI=1/C19H16N2O2S/c1-11-17(22)15-6-4-3-5-14(15)16-18(11)24-19(21-16)20-12-7-9-13(23-2)10-8-12/h3-10,22H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,7,6,8,5,17,21,18,20,2,16,19,9,4,10,3,11,13,15,14,24,22,12/E:(7,8)(9,10)/rA:24nCCCCCCCCCCCSCNNCCCCCCOCO/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;s10d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.67465
Area:517.714
Solvation:-3.26821
Coulombic:-42.6045
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:336.409
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.14
LogP (Chemaxon):5.27

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