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Chemical ID: 6024429
Chemical ID:
6024429
Name [?]:
2-[[2-(4-fluorophenyl)acetyl]-isopropyl-amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C26H28F2N2O2S/c1-18(2)30(25(31)14-20-4-8-22(27)9-5-20)17-26(32)29(16-24-19(3)12-13-33-24)15-21-6-10-23(28)11-7-21/h4-13,18H,14-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,28,32,11,15,29,31,12,14,3,4,26,9,7,19,21,2,27,10,30,13,6,24,17,33,16,8,20,25,18,5/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCSCCNCCCCCCCFCOCNCCCCOCCCCCCCF/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;s20;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28F2N2O2S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.884 |
Area: | 668.102 |
Solvation: | -5.81854 |
Coulombic: | -41.7971 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 470.576 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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