Chemical ID: 6008733

c1cc(cc(c1)C(F)(F)F)C(=O)N(CC2CC2)CC(=O)Nc3nccs3
Chemical ID:
6008733
Name [?]:
N-(cyclopropylmethyl)-N-(thiazol-2-ylcarbamoylmethyl)-3-(trifluoromethyl)benzamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)C(=O)N(CC2CC2)CC(=O)Nc3nccs3
InChi [?]:
InChI=1/C17H16F3N3O2S/c18-17(19,20)13-3-1-2-12(8-13)15(25)23(9-11-4-5-11)10-14(24)22-16-21-6-7-26-16/h1-3,6-8,11H,4-5,9-10H2,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,24,25,4,14,18,15,3,5,19,11,22,7,8,9,10,23,21,13,20,12,26/E:(4,5)(18,19,20)/rA:26nCCCCCCCFFFCONCCCCCCONCNCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s11;s13;s14;s15;s15s16;s13;s18;d19;s19;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16F3N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.10602
Area:563.47
Solvation:-4.98072
Coulombic:-60.7933
Bond Count [?]
All:28
Single:21
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.389
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.54
LogP (Chemaxon):3.12

Name Annotations

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Descriptor Annotations

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