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Chemical ID: 5920980
Chemical ID:
5920980
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)c3cccs3
InChi [?]:
InChI=1/C23H25FN2O3S2/c1-17-5-10-20(31-17)15-26(14-18-6-8-19(24)9-7-18)22(27)16-25(11-12-29-2)23(28)21-4-3-13-30-21/h3-10,13H,11-12,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,29,28,3,11,15,12,14,4,21,22,30,9,7,19,2,10,13,5,27,17,25,16,20,8,18,26,23,31,6/E:(6,7)(8,9)/rA:31nCCCCCSCNCCCCCCCFCOCNCCOCCOCCCCS/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s20;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25FN2O3S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19679 |
Area: | 629.781 |
Solvation: | -6.54773 |
Coulombic: | -46.0818 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 460.587 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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