Chemical ID: 6001013

CC(C)N(CC(=O)Nc1nccs1)C(=O)c2cccc3c2cccc3
Chemical ID:
6001013
Name [?]:
N-isopropyl-N-(thiazol-2-ylcarbamoylmethyl)naphthalene-1-carboxamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nccs1)C(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C19H19N3O2S/c1-13(2)22(12-17(23)21-19-20-10-11-25-19)18(24)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,13H,12H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,24,23,18,25,19,22,17,11,12,5,2,20,21,16,6,14,9,10,8,4,7,15,13/E:(1,2)/rA:25nCCCNCCONCNCCSCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s4;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.18388
Area:542.449
Solvation:-4.37735
Coulombic:-43.3144
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.439
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.03
LogP (Chemaxon):3.29

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