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Chemical ID: 6023787
Chemical ID:
6023787
Name [?]:
N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[2-(2-thienyl)acetyl]-amino]-N-(2-thienylmethyl)acetamide
SMILES [?]:
COCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)Cc3cccs3
InChi [?]:
InChI=1/C24H27FN2O3S2/c1-30-12-4-11-26(23(28)15-21-5-2-13-31-21)18-24(29)27(17-22-6-3-14-32-22)16-19-7-9-20(25)10-8-19/h2-3,5-10,13-14H,4,11-12,15-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,30,22,4,29,21,13,17,14,16,5,3,31,23,27,11,19,7,12,15,28,20,25,8,18,6,10,26,9,2,32,24/E:(7,8)(9,10)/rA:32nCOCCCNCCONCCCCCCCFCCCCCSCOCCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;d20;s21;d22;s20s23;s6;d25;s25;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27FN2O3S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.334 |
Area: | 719.919 |
Solvation: | -6.66398 |
Coulombic: | -45.48 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 474.613 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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