Chemical ID: 6008788

CCN(CC(=O)Nc1nc(c(s1)C)C)C(=O)c2cccc3c2cccc3
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue