Chemical ID: 4802966

c1ccc2c(c1)C3N(C2=O)C(CS3)C(=O)NC4CCCCC4
Chemical ID:
4802966
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3N(C2=O)C(CS3)C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C17H20N2O2S/c20-15(18-11-6-2-1-3-7-11)14-10-22-17-13-9-5-4-8-12(13)16(21)19(14)17/h4-5,8-9,11,14,17H,1-3,6-7,10H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:20,19,21,2,1,18,22,3,6,12,17,4,5,11,14,9,7,16,8,15,10,13/E:(2,3)(6,7)/rA:22cCCCCCCCNCOCCSCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s8;s11;s7s12;s11;d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.46334
Area:499.483
Solvation:-3.02375
Coulombic:-40.4927
Bond Count [?]
All:25
Single:20
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.419
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.87
LogP (Chemaxon):2.15

Name Annotations

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Descriptor Annotations

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