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Chemical ID: 6024989
Chemical ID:
6024989
Name [?]:
N-[(4-fluorophenyl)methyl]-2-[(2-methoxyacetyl)-(tetrahydrofuran-2-ylmethyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)COC
InChi [?]:
InChI=1/C23H29FN2O4S/c1-17-9-11-31-21(17)14-25(12-18-5-7-19(24)8-6-18)22(27)15-26(23(28)16-29-2)13-20-4-3-10-30-20/h5-9,11,20H,3-4,10,12-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,24,23,11,15,12,14,3,25,4,9,21,7,19,29,2,10,13,22,6,17,27,16,8,20,18,28,30,26,5/E:(5,6)(7,8)/rA:31cCCCCSCCNCCCCCCCFCOCNCCCCCOCOCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s22s25;s20;d27;s27;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29FN2O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.25723 |
Area: | 654.987 |
Solvation: | -8.11746 |
Coulombic: | -52.8359 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 448.552 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.79 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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