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Chemical ID: 6024783
Chemical ID:
6024783
Name [?]:
4-ethyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-sec-butyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C)C(C)CC
InChi [?]:
InChI=1/C28H33FN2O2S/c1-5-21(4)31(28(33)24-11-7-22(6-2)8-12-24)19-27(32)30(18-26-20(3)15-16-34-26)17-23-9-13-25(29)14-10-23/h7-16,21H,5-6,17-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:34,1,30,32,33,2,4,8,18,22,5,7,19,21,27,28,16,24,12,26,31,3,17,6,20,25,13,9,23,15,11,14,10,29/E:(7,8)(9,10)(11,12)(13,14)/rA:34cCCCCCCCCCONCCONCCCCCCCFCCCCCSCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;d25;s26;d27;s25s28;s26;s11;s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H33FN2O2S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.224 |
Area: | 645.767 |
Solvation: | -3.92016 |
Coulombic: | -40.9692 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 480.638 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.81 |
LogP (Chemaxon): | 6.02 |
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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