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Chemical ID: 6025907
Chemical ID:
6025907
Name [?]:
N-[(4-fluorophenyl)methyl]-2-[isopropyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C25H28FN3O3S/c1-18(2)29(25(31)27-22-8-4-5-9-23(22)32-3)17-24(30)28(16-21-7-6-14-33-21)15-19-10-12-20(26)13-11-19/h4-14,18H,15-17H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,3,33,28,29,20,19,27,30,11,15,12,14,21,9,17,5,2,10,13,18,26,31,6,23,16,25,8,4,7,24,32,22/E:(1,2)(10,11)(12,13)/rA:33nCCCNCCONCCCCCCCFCCCCCSCONCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28FN3O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8478 |
Area: | 684.073 |
Solvation: | -5.25408 |
Coulombic: | -60.6019 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 469.573 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.37 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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