ChemDB: Chemical Search
Download
Chemical ID: 6008788
Chemical ID:
6008788
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-ethyl-naphthalene-1-carboxamide
SMILES [?]:
CCN(CC(=O)Nc1nc(c(s1)C)C)C(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C20H21N3O2S/c1-4-23(12-18(24)22-20-21-13(2)14(3)26-20)19(25)17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,4,12H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,14,13,2,25,24,19,26,20,23,18,4,10,11,21,22,17,5,15,8,9,7,3,6,16,12/rA:26nCCNCCONCNCCSCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;s10;s3;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5112 |
Area: | 579.852 |
Solvation: | -3.98511 |
Coulombic: | -43.9048 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.466 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.04 |
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 |
---|