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Chemical ID: 6019662
Chemical ID:
6019662
Name [?]:
N-[(4-fluorophenyl)methyl]-2-isobutylamino-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CNCC(C)C
InChi [?]:
InChI=1/C19H25FN2OS/c1-14(2)10-21-11-19(23)22(13-18-15(3)8-9-24-18)12-16-4-6-17(20)7-5-16/h4-9,14,21H,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:23,24,1,11,15,12,14,3,4,21,19,9,7,22,2,10,13,6,17,16,20,8,18,5/E:(1,2)(4,5)(6,7)/rA:24nCCCCSCCNCCCCCCCFCOCNCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25FN2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4634 |
Area: | 561.38 |
Solvation: | -3.57115 |
Coulombic: | -31.175 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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