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Chemical ID: 6153263
Chemical ID:
6153263
Name [?]:
N-(2,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(c(c2)C)C)C(=O)Nc3ccc(cc3C)C
InChi [?]:
InChI=1/C23H27N3O2S/c1-6-26-21(27)13-20(22(28)25-19-10-7-14(2)11-17(19)5)29-23(26)24-18-9-8-15(3)16(4)12-18/h7-12,20H,6,13H2,1-5H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,29,18,17,28,2,24,13,12,23,26,16,6,25,14,15,27,11,22,7,4,19,9,10,21,3,5,20,8/rA:29cCCNCOCCSCNCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s14;s7;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4932 |
Area: | 634.473 |
Solvation: | -3.36859 |
Coulombic: | -42.3001 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 409.546 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.82 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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