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Chemical ID: 6008733
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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Experimental Annotations
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Descriptor Annotations
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