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Chemical ID: 6024573
Chemical ID:
6024573
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C)C4CC4
InChi [?]:
InChI=1/C26H27FN2O2S/c1-18-3-7-21(8-4-18)26(31)29(23-11-12-23)17-25(30)28(16-24-19(2)13-14-32-24)15-20-5-9-22(27)10-6-20/h3-10,13-14,23H,11-12,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,3,7,17,21,4,6,18,20,31,32,26,27,15,23,11,2,25,16,5,19,30,24,12,8,22,14,10,13,9,28/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:32nCCCCCCCCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;s24s27;s25;s10;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27FN2O2S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2998 |
Area: | 616.718 |
Solvation: | -4.11814 |
Coulombic: | -40.0315 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 450.569 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.8 |
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
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Chemical Mix | Source | External ID | Descriptor | Value |
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