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Chemical ID: 6024397
Chemical ID:
6024397
Name [?]:
N-[(4-fluorophenyl)methyl]-2-[isopropyl-[2-(2-thienyl)acetyl]-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)Cc3cccs3
InChi [?]:
InChI=1/C24H27FN2O2S2/c1-17(2)27(23(28)13-21-5-4-11-30-21)16-24(29)26(15-22-18(3)10-12-31-22)14-19-6-8-20(25)9-7-19/h4-12,17H,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,29,28,11,15,12,14,3,30,4,26,9,7,19,21,2,10,13,27,6,24,17,16,8,20,25,18,31,5/E:(1,2)(6,7)(8,9)/rA:31nCCCCSCCNCCCCCCCFCOCNCCCCOCCCCCS/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;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27FN2O2S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3794 |
Area: | 658.184 |
Solvation: | -5.07516 |
Coulombic: | -37.9354 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 458.614 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.43 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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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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