Chemical ID: 6000955

CCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F
Chemical ID:
6000955
Name [?]:
N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-propyl-3,5-bis(trifluoromethyl)benzamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C18H17F6N3O2S/c1-3-4-27(8-14(28)26-16-25-10(2)9-30-16)15(29)11-5-12(17(19,20)21)7-13(6-11)18(22,23)24/h5-7,9H,3-4,8H2,1-2H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,18,22,20,5,12,11,17,19,21,6,15,9,27,23,28,29,30,24,25,26,10,8,4,7,16,13/E:(5,6)(12,13)(17,18)(19,20,21,22,23,24)/rA:30nCCCNCCONCNCCSCCOCCCCCCCFFFCFFF/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s4;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s19;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17F6N3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.09585
Area:588.741
Solvation:-5.62268
Coulombic:-78.0566
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:453.403
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):4.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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