ChemDB: Chemical Search
Download
Chemical ID: 6007203
Chemical ID:
6007203
Name [?]:
N-(3-ethoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]heptanamide
SMILES [?]:
CCCCCCC(=O)N(CCCOCC)CC(=O)Nc1nc(cs1)C
InChi [?]:
InChI=1/C18H31N3O3S/c1-4-6-7-8-10-17(23)21(11-9-12-24-5-2)13-16(22)20-18-19-15(3)14-25-18/h14H,4-13H2,1-3H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,25,2,14,3,4,5,11,6,10,12,16,23,22,17,7,20,21,19,9,18,8,13,24/rA:25nCCCCCCCONCCCOCCCCONCNCCSC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s9;s16;d17;s17;s19;d20;s21;d22;s20s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31N3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2247 |
Area: | 660.331 |
Solvation: | -5.28359 |
Coulombic: | -48.921 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 369.523 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.42 |
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 |
---|