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Chemical ID: 5916223
Chemical ID:
5916223
Name [?]:
N-benzyl-2-[[2-(4-fluorophenyl)acetyl]-(2-methoxyethyl)amino]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CCOC)C(=O)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C26H29FN2O3S/c1-20-8-13-24(33-20)18-29(17-22-6-4-3-5-7-22)26(31)19-28(14-15-32-2)25(30)16-21-9-11-23(27)12-10-21/h3-13H,14-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,13,12,14,11,15,3,28,32,29,31,4,20,21,26,9,7,18,2,27,10,30,5,24,16,33,19,8,25,17,22,6/E:(4,5)(6,7)(9,10)(11,12)/rA:33nCCCCCSCNCCCCCCCCOCNCCOCCOCCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s19;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29FN2O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6724 |
Area: | 710.465 |
Solvation: | -6.08926 |
Coulombic: | -46.6018 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 468.585 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.42 |
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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