Chemical ID: 6003240

Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2ccc(cc2)C(F)(F)F
Chemical ID:
6003240
Name [?]:
N-isopentyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C19H22F3N3O2S/c1-12(2)8-9-25(10-16(26)24-18-23-13(3)11-28-18)17(27)14-4-6-15(7-5-14)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:15,16,1,20,24,21,23,13,12,10,3,14,2,19,22,8,17,5,25,26,27,28,6,7,11,9,18,4/E:(1,2)(4,5)(6,7)(20,21,22)/rA:28nCCCSCNNCOCNCCCCCCOCCCCCCCFFF/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22F3N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7181
Area:612.293
Solvation:-4.58924
Coulombic:-61.7815
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:413.458
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):4.12

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Descriptor Annotations

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