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Chemical ID: 6023849
Chemical ID:
6023849
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)c4cccs4
InChi [?]:
InChI=1/C24H25FN2O3S2/c25-19-9-7-18(8-10-19)14-26(16-21-5-2-12-31-21)23(28)17-27(15-20-4-1-11-30-20)24(29)22-6-3-13-32-22/h2-3,5-10,12-13,20H,1,4,11,14-17H2
InChi Info:
AuxInfo=1/0/N:23,1,30,22,2,29,10,14,11,13,24,5,31,8,20,6,18,9,12,21,3,28,16,26,15,7,19,17,27,25,4,32/E:(7,8)(9,10)/rA:32cCCCSCCNCCCCCCCFCOCNCCCCCOCOCCCCS/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s7;d16;s16;s18;s19;s20;s21;s22;s23;s21s24;s19;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25FN2O3S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8897 |
Area: | 661.131 |
Solvation: | -5.63861 |
Coulombic: | -47.8882 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 472.597 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.9 |
LogP (Chemaxon): | 3.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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