ChemDB: Chemical Search
Download
Chemical ID: 7658018
Chemical ID:
7658018
Name [?]:
None
SMILES [?]:
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COc3ccccc3)SC1)C(=O)O
InChi [?]:
InChI=1/C18H18N2O7S/c1-10(21)26-7-11-9-28-17-14(16(23)20(17)15(11)18(24)25)19-13(22)8-27-12-5-3-2-4-6-12/h2-6,14,17H,7-9H2,1H3,(H,19,22)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,5,16,25,2,6,18,14,10,7,11,9,26,13,8,3,15,12,27,28,4,17,24/E:(3,4)(5,6)(24,25)/rA:28cCCOOCCCNCCCONCOCOCCCCCCSCCOO/rB:s1;d2;s2;s4;s5;d6;s7;s8;s9;s8s10;d11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s9;s6s24;s7;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O7S |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.62822 |
Area: | 613.088 |
Solvation: | -7.69899 |
Coulombic: | -89.4963 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.61 |
LogP (Chemaxon): | None |
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 |
---|