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Chemical ID: 6024860
Chemical ID:
6024860
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)propanamide
SMILES [?]:
CCC(=O)N(CCCOC)CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C
InChi [?]:
InChI=1/C22H29FN2O3S/c1-4-21(26)24(11-5-12-28-3)16-22(27)25(15-20-17(2)10-13-29-20)14-18-6-8-19(23)9-7-18/h6-10,13H,4-5,11-12,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,10,2,7,17,21,18,20,26,6,8,27,15,23,11,25,16,19,24,3,12,22,5,14,4,13,9,28/E:(6,7)(8,9)/rA:29nCCCONCCCOCCCONCCCCCCCFCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s5;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;s24s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29FN2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0799 |
Area: | 648.215 |
Solvation: | -6.12544 |
Coulombic: | -44.4513 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 420.542 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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