ChemDB: Chemical Search
Download
Chemical ID: 6219204
Chemical ID:
6219204
Name [?]:
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-isopropylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)c2csc(n2)NC(=O)CN3C(=O)CCC3=O
InChi [?]:
InChI=1/C18H19N3O3S/c1-11(2)12-3-5-13(6-4-12)14-10-25-18(19-14)20-15(22)9-21-16(23)7-8-17(21)24/h3-6,10-11H,7-9H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,6,8,22,23,18,11,2,4,7,10,16,20,24,13,14,15,19,17,21,25,12/E:(1,2)(3,4)(5,6)(7,8)(16,17)(23,24)/rA:25nCCCCCCCCCCCSCNNCOCNCOCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;d20;s20;s22;s19s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4904 |
Area: | 572.614 |
Solvation: | -4.82494 |
Coulombic: | -49.0126 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.15 |
LogP (Chemaxon): | 2.79 |
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 |
---|