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Chemical ID: 6024641
Chemical ID:
6024641
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)C
InChi [?]:
InChI=1/C20H25FN2O3S/c1-15-8-11-27-19(15)13-23(12-17-4-6-18(21)7-5-17)20(25)14-22(16(2)24)9-10-26-3/h4-8,11H,9-10,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,24,11,15,12,14,3,21,22,4,9,7,19,2,25,10,13,6,17,16,20,8,26,18,23,5/E:(4,5)(6,7)/rA:27nCCCCSCCNCCCCCCCFCOCNCCOCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s20;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25FN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76749 |
Area: | 587.036 |
Solvation: | -6.90841 |
Coulombic: | -42.3284 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 392.489 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.76 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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