Chemical ID: 4796223

c1ccc2c(c1)C3N(C2=O)C(CS3)C(=O)NC4CCCC4
Chemical ID:
4796223
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3N(C2=O)C(CS3)C(=O)NC4CCCC4
InChi [?]:
InChI=1/C16H18N2O2S/c19-14(17-10-5-1-2-6-10)13-9-21-16-12-8-4-3-7-11(12)15(20)18(13)16/h3-4,7-8,10,13,16H,1-2,5-6,9H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:19,20,2,1,18,21,3,6,12,17,4,5,11,14,9,7,16,8,15,10,13/E:(1,2)(5,6)/rA:21cCCCCCCCNCOCCSCONCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s8;s11;s7s12;s11;d14;s14;s16;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:9.04514
Area:483.43
Solvation:-3.0406
Coulombic:-40.1646
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.392
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.3
LogP (Chemaxon):1.75

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