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Chemical ID: 6023782
Chemical ID:
6023782
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILES [?]:
COCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3cccs3
InChi [?]:
InChI=1/C23H25FN2O3S2/c1-29-12-4-11-25(23(28)21-6-3-14-31-21)17-22(27)26(16-20-5-2-13-30-20)15-18-7-9-19(24)10-8-18/h2-3,5-10,13-14H,4,11-12,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,29,4,21,28,13,17,14,16,5,3,23,30,11,19,7,12,15,20,27,8,25,18,6,10,9,26,2,24,31/E:(7,8)(9,10)/rA:31nCOCCCNCCONCCCCCCCFCCCCCSCOCCCCS/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;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25FN2O3S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2748 |
Area: | 641.484 |
Solvation: | -5.76225 |
Coulombic: | -47.9752 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 460.587 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.77 |
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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