Chemical ID: 6189708

CCN1c2cccc3c2c(ccc3NC(=O)CCSc4ccccc4)C1=O
Chemical ID:
6189708
Name [?]:
None
SMILES [?]:
CCN1c2cccc3c2c(ccc3NC(=O)CCSc4ccccc4)C1=O
InChi [?]:
InChI=1/C22H20N2O2S/c1-2-24-19-10-6-9-16-18(12-11-17(21(16)19)22(24)26)23-20(25)13-14-27-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,6,21,25,7,5,11,12,17,18,20,8,10,13,4,15,9,26,14,3,16,27,19/E:(4,5)(7,8)/rA:27nCCNCCCCCCCCCCNCOCCSCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s13;s14;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s3s10;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.8758
Area:595.403
Solvation:-3.00927
Coulombic:-39.2989
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:376.472
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.37
LogP (Chemaxon):3.98

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Descriptor Annotations

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