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Chemical ID: 6019663
Chemical ID:
6019663
Name [?]:
N-[(4-fluorophenyl)methyl]-2-isopropylamino-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CNC(C)C
InChi [?]:
InChI=1/C18H23FN2OS/c1-13(2)20-10-18(22)21(12-17-14(3)8-9-23-17)11-15-4-6-16(19)7-5-15/h4-9,13,20H,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,11,15,12,14,3,4,19,9,7,21,2,10,13,6,17,16,20,8,18,5/E:(1,2)(4,5)(6,7)/rA:23nCCCCSCCNCCCCCCCFCOCNCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23FN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66553 |
Area: | 528.346 |
Solvation: | -3.54312 |
Coulombic: | -30.6672 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.453 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.81 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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