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Chemical ID: 6024944
Chemical ID:
6024944
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]-2-[tetrahydrofuran-2-ylmethyl-[2-(2-thienyl)acetyl]-amino]-acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)Cc4cccs4
InChi [?]:
InChI=1/C26H29FN2O3S2/c1-19-10-13-34-24(19)17-28(15-20-6-8-21(27)9-7-20)26(31)18-29(16-22-4-2-11-32-22)25(30)14-23-5-3-12-33-23/h3,5-10,12-13,22H,2,4,11,14-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,32,23,31,11,15,12,14,3,25,33,4,29,9,21,7,19,2,10,13,22,30,6,27,17,16,8,20,28,18,26,34,5/E:(6,7)(8,9)/rA:34cCCCCSCCNCCCCCCCFCOCNCCCCCOCOCCCCCS/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s22s25;s20;d27;s27;s29;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29FN2O3S2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3033 |
Area: | 712.502 |
Solvation: | -6.50927 |
Coulombic: | -45.5861 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 500.651 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.9 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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