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Chemical ID: 6019627
Chemical ID:
6019627
Name [?]:
N-benzyl-2-(tetrahydrofuran-2-ylmethylamino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
c1ccc(cc1)CN(Cc2cccs2)C(=O)CNCC3CCCO3
InChi [?]:
InChI=1/C19H24N2O2S/c22-19(13-20-12-17-8-4-10-23-17)21(15-18-9-5-11-24-18)14-16-6-2-1-3-7-16/h1-3,5-7,9,11,17,20H,4,8,10,12-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,12,3,5,21,11,23,13,19,17,7,9,4,20,10,15,18,8,16,24,14/E:(2,3)(6,7)/rA:24cCCCCCCCNCCCCCSCOCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.04632 |
Area: | 574.257 |
Solvation: | -5.3101 |
Coulombic: | -33.8414 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 344.472 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.97 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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