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Chemical ID: 4447954
Chemical ID:
4447954
Name [?]:
N-(2,3-dimethylphenyl)-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
SMILES [?]:
CCN=C1N(C(=O)C(S1)CC(=O)Nc2cccc(c2C)C)CC
InChi [?]:
InChI=1/C17H23N3O2S/c1-5-18-17-20(6-2)16(22)14(23-17)10-15(21)19-13-9-7-8-11(3)12(13)4/h7-9,14H,5-6,10H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,21,20,2,22,16,17,15,10,18,19,14,8,11,6,4,3,13,5,12,7,9/rA:23cCCNCNCOCSCCONCCCCCCCCCC/rB:s1;s2;w3;s4;s5;d6;s6;s4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23N3O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.215 |
Area: | 543.681 |
Solvation: | -3.37703 |
Coulombic: | -41.6051 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.92 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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