ChemDB: Chemical Search
Download
Chemical ID: 4903701
Chemical ID:
4903701
Name [?]:
None
SMILES [?]:
CC(=O)CCCSc1c2c(c3c4c(c(nc3s2)N5CCOCC5)COC(C4)(C)C)nc(n1)SC
InChi [?]:
InChI=1/C24H30N4O3S3/c1-14(29)6-5-11-33-22-19-18(25-23(27-22)32-4)17-15-12-24(2,3)31-13-16(15)20(26-21(17)34-19)28-7-9-30-10-8-28/h5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,34,5,4,19,23,20,22,6,27,24,2,12,13,11,10,9,14,16,8,31,26,30,15,32,18,3,21,25,33,7,17/E:(2,3)(7,8)(9,10)/rA:34nCCOCCCSCCCCCCCNCSNCCOCCCOCCCCNCNSC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;s18;s19;s20;s21;s18s22;s13;s24;s25;s12s26;s26;s26;s10;d30;d8s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N4O3S3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.964 |
Area: | 739.278 |
Solvation: | -5.51791 |
Coulombic: | -47.8082 |
Bond Count [?]
All: | 38 |
Single: | 31 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 518.718 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.5 |
LogP (Chemaxon): | 5.79 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|