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Chemical ID: 6001013
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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