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Chemical ID: 6024501
Chemical ID:
6024501
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-morpholinoethyl)acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCN3CCOCC3)C(=O)C
InChi [?]:
InChI=1/C23H30FN3O3S/c1-18-7-14-31-22(18)16-27(15-20-3-5-21(24)6-4-20)23(29)17-26(19(2)28)9-8-25-10-12-30-13-11-25/h3-7,14H,8-13,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,11,15,12,14,3,22,21,24,28,25,27,4,9,7,19,2,29,10,13,6,17,16,23,20,8,30,18,26,5/E:(3,4)(5,6)(10,11)(12,13)/rA:31nCCCCSCCNCCCCCCCFCOCNCCNCCOCCCOC/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;s25;s26;s23s27;s20;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30FN3O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80683 |
Area: | 650.39 |
Solvation: | -6.45292 |
Coulombic: | -48.8434 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 447.567 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.41 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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