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Chemical ID: 5921374
Chemical ID:
5921374
Name [?]:
2-(ethylcarbamoyl-(2-methoxyethyl)amino)-N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCNC(=O)N(CCOC)CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C
InChi [?]:
InChI=1/C21H28FN3O3S/c1-4-23-21(27)24(11-12-28-3)15-20(26)25(14-19-10-5-16(2)29-19)13-17-6-8-18(22)9-7-17/h5-10H,4,11-15H2,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,29,10,2,26,17,21,18,20,25,7,8,15,23,11,27,16,19,24,12,4,22,3,6,14,13,5,9,28/E:(6,7)(8,9)/rA:29nCCNCONCCOCCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;s24s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28FN3O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6088 |
Area: | 656.233 |
Solvation: | -5.79704 |
Coulombic: | -59.383 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 421.53 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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