Chemical ID: 6008905

Cc1cnc(s1)NC(=O)CN(CC2CC2)C(=O)c3cccc(c3)C(F)(F)F
Chemical ID:
6008905
Name [?]:
N-(cyclopropylmethyl)-N-[(5-methylthiazol-2-yl)carbamoylmethyl]-3-(trifluoromethyl)benzamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(CC2CC2)C(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C18H18F3N3O2S/c1-11-8-22-17(27-11)23-15(25)10-24(9-12-5-6-12)16(26)13-3-2-4-14(7-13)18(19,20)21/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,14,15,23,3,12,10,2,13,18,22,8,16,5,24,25,26,27,4,7,11,9,17,6/E:(5,6)(19,20,21)/rA:27nCCCNCSNCOCNCCCCCOCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s13s14;s11;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18F3N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.62098
Area:585.784
Solvation:-5.02362
Coulombic:-60.5234
Bond Count [?]
All:29
Single:22
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:397.416
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.39
LogP (Chemaxon):3.12

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Descriptor Annotations

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