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Chemical ID: 3934620
Chemical ID:
3934620
Name [?]:
N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(3-thienyl)acetyl]-(2-thienylmethyl)amino]-acetamide
SMILES [?]:
c1cc(sc1)CN(C(c2ccc(cc2)F)C(=O)NC3CCCCC3)C(=O)Cc4ccsc4
InChi [?]:
InChI=1/C25H27FN2O2S2/c26-20-10-8-19(9-11-20)24(25(30)27-21-5-2-1-3-6-21)28(16-22-7-4-13-32-22)23(29)15-18-12-14-31-17-18/h4,7-14,17,21,24H,1-3,5-6,15-16H2,(H,27,30)
InChi Info:
AuxInfo=1/1/N:22,21,23,1,20,24,2,10,14,11,13,29,5,30,27,6,32,28,9,12,19,3,25,8,16,15,18,7,26,17,31,4/E:(2,3)(5,6)(8,9)(10,11)/rA:32cCCCSCCNCCCCCCCFCONCCCCCCCOCCCCSC/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s8;d16;s16;s18;s19;s20;s21;s22;s19s23;s7;d25;s25;s27;s28;d29;s30;d28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27FN2O2S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1886 |
Area: | 668.459 |
Solvation: | -4.52292 |
Coulombic: | -44.1966 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 470.625 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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