Chemical ID: 6795007

Cc1c(sc2c1c(=O)n(cn2)CC(=O)Nc3nc4ccccc4s3)C
Chemical ID:
6795007
Name [?]:
N-benzothiazol-2-yl-2-(7,8-dimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-acetamide
SMILES [?]:
Cc1c(sc2c1c(=O)n(cn2)CC(=O)Nc3nc4ccccc4s3)C
InChi [?]:
InChI=1/C17H14N4O2S2/c1-9-10(2)24-15-14(9)16(23)21(8-18-15)7-13(22)20-17-19-11-5-3-4-6-12(11)25-17/h3-6,8H,7H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,20,21,19,22,12,10,2,3,18,23,13,6,5,7,16,11,17,15,9,14,8,4,24/rA:25nCCCSCCCONCNCCONCNCCCCCCSC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s9;s12;d13;s13;s15;d16;s17;s18;d19;s20;d21;d18s22;s16s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4O2S2
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.82974
Area:556.656
Solvation:-4.08665
Coulombic:-47.5466
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:370.451
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.83
LogP (Chemaxon):3.54

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