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Chemical ID: 6023852
Chemical ID:
6023852
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-3,3-dimethyl-N-(tetrahydrofuran-2-ylmethyl)butanamide
SMILES [?]:
CC(C)(C)CC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3
InChi [?]:
InChI=1/C25H33FN2O3S/c1-25(2,3)14-23(29)28(16-21-6-4-12-31-21)18-24(30)27(17-22-7-5-13-32-22)15-19-8-10-20(26)11-9-19/h5,7-11,13,21H,4,6,12,14-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,30,11,29,21,25,22,24,13,31,5,19,9,27,15,20,23,10,28,6,16,2,26,18,8,7,17,14,32/E:(1,2,3)(8,9)(10,11)/rA:32cCCCCCCONCCCCCOCCONCCCCCCCFCCCCCS/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s10s13;s8;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s18;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H33FN2O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7412 |
Area: | 674.209 |
Solvation: | -5.11407 |
Coulombic: | -46.5637 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 460.606 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.76 |
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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