Chemical ID: 6000945

CCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc3ccccc3c2
Chemical ID:
6000945
Name [?]:
N-butyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]naphthalene-2-carboxamide
SMILES [?]:
CCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C21H23N3O2S/c1-3-4-11-24(13-19(25)23-21-22-15(2)14-27-21)20(26)18-10-9-16-7-5-6-8-17(16)12-18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,23,24,22,25,20,19,4,27,6,13,12,21,26,18,7,16,10,11,9,5,8,17,14/rA:27nCCCCNCCONCNCCSCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s5;d16;s16;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.4243
Area:608.241
Solvation:-3.78169
Coulombic:-44.6305
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.492
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.04
LogP (Chemaxon):3.91

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