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Chemical ID: 5921038
Chemical ID:
5921038
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CCCOC)C(=O)c3ccco3
InChi [?]:
InChI=1/C24H27FN2O4S/c1-18-6-11-21(32-18)16-27(15-19-7-9-20(25)10-8-19)23(28)17-26(12-4-13-30-2)24(29)22-5-3-14-31-22/h3,5-11,14H,4,12-13,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,30,22,29,3,11,15,12,14,4,21,23,31,9,7,19,2,10,13,5,28,17,26,16,20,8,18,27,24,32,6/E:(7,8)(9,10)/rA:32nCCCCCSCNCCCCCCCFCOCNCCCOCCOCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s20;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27FN2O4S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1561 |
Area: | 694.324 |
Solvation: | -6.20199 |
Coulombic: | -55.0955 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 458.547 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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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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