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Chemical ID: 6023846
Chemical ID:
6023846
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
SMILES [?]:
CC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3
InChi [?]:
InChI=1/C21H25FN2O3S/c1-16(25)23(13-19-4-2-10-27-19)15-21(26)24(14-20-5-3-11-28-20)12-17-6-8-18(22)9-7-17/h3,5-9,11,19H,2,4,10,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,26,7,25,17,21,18,20,9,27,15,5,23,11,2,16,19,6,24,12,22,4,14,3,13,10,28/E:(6,7)(8,9)/rA:28cCCONCCCCCOCCONCCCCCCCFCCCCCS/rB:s1;d2;s2;s4;s5;s6;s7;s8;s6s9;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25FN2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.80934 |
Area: | 605.412 |
Solvation: | -5.32595 |
Coulombic: | -44.9531 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 404.499 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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