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Chemical ID: 5914304
Chemical ID:
5914304
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
SMILES [?]:
c1ccc(cc1)CN(Cc2cccs2)C(=O)CN(CC3CC3)C(=O)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C26H25F3N2O2S/c27-26(28,29)22-9-4-8-21(14-22)25(33)31(16-20-11-12-20)18-24(32)30(17-23-10-5-13-34-23)15-19-6-2-1-3-7-19/h1-10,13-14,20H,11-12,15-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,27,12,3,5,26,28,11,21,22,13,30,7,19,9,17,4,20,25,29,10,15,23,31,32,33,34,8,18,16,24,14/E:(2,3)(6,7)(11,12)(27,28,29)/rA:34nCCCCCCCNCCCCCSCOCNCCCCCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;s20;s20s21;s18;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25F3N2O2S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.911 |
Area: | 695.758 |
Solvation: | -4.48293 |
Coulombic: | -55.7456 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 486.55 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.92 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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