Chemical ID: 6189721

CSc1nc2ccc(cc2s1)NC(=O)c3cccc(c3)N4C(=O)CCC4=O
Chemical ID:
6189721
Name [?]:
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methylsulfanylbenzothiazol-6-yl)-benzamide
SMILES [?]:
CSc1nc2ccc(cc2s1)NC(=O)c3cccc(c3)N4C(=O)CCC4=O
InChi [?]:
InChI=1/C19H15N3O3S2/c1-26-19-21-14-6-5-12(10-15(14)27-19)20-18(25)11-3-2-4-13(9-11)22-16(23)7-8-17(22)24/h2-6,9-10H,7-8H2,1H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,7,6,24,25,20,9,15,8,19,5,10,22,26,13,3,12,4,21,23,27,14,2,11/E:(7,8)(16,17)(23,24)/rA:27nCSCNCCCCCCSNCOCCCCCCNCOCCCO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s8;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;d22;s22;s24;s21s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O3S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7259
Area:607.807
Solvation:-4.46926
Coulombic:-49.9318
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.473
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.99
LogP (Chemaxon):3.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue