Chemical ID: 7278485

Cc1csc(n1)NC(=O)Cc2coc3c2cc4c(c3)CCC4
Chemical ID:
7278485
Name [?]:
None
SMILES [?]:
Cc1csc(n1)NC(=O)Cc2coc3c2cc4c(c3)CCC4
InChi [?]:
InChI=1/C17H16N2O2S/c1-10-9-22-17(18-10)19-16(20)7-13-8-21-15-6-12-4-2-3-11(12)5-14(13)15/h5-6,8-9H,2-4,7H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,16,19,10,12,3,2,17,18,11,15,14,8,5,6,7,9,13,4/rA:22nCCCSCNNCOCCCOCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2S
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.64972
Area:501.685
Solvation:-3.89241
Coulombic:-31.2449
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:312.387
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.78
LogP (Chemaxon):4.05

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