Chemical ID: 4567368

Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)NC(CCSC)C(=O)O
Chemical ID:
4567368
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)NC(CCSC)C(=O)O
InChi [?]:
InChI=1/C20H23NO6S/c1-11-16(26-10-17(22)21-15(19(23)24)8-9-28-2)7-6-13-12-4-3-5-14(12)20(25)27-18(11)13/h6-7,15H,3-5,8-10H2,1-2H3,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,14,13,15,5,4,22,23,17,2,12,6,11,21,3,18,7,26,9,20,19,27,28,10,16,8,24/E:(23,24)/rA:28cCCCCCCCOCOCCCCCOCCONCCCSCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;s17;d18;s18;s20;s21;s22;s23;s24;s21;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO6S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.35511
Area:637.718
Solvation:-6.58783
Coulombic:-73.5989
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:405.466
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.48
LogP (Chemaxon):2.68

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