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Chemical ID: 6000950
Chemical ID:
6000950
Name [?]:
2-[butyl-(2,2-diphenylacetyl)-amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCCCN(CC(=O)Nc1nc(cs1)C)C(=O)C(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C24H27N3O2S/c1-3-4-15-27(16-21(28)26-24-25-18(2)17-30-24)23(29)22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17,22H,3-4,15-16H2,1-2H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,22,28,21,23,27,29,20,24,26,30,4,6,13,12,19,25,7,18,16,10,11,9,5,8,17,14/E:(5,6)(7,8,9,10)(11,12,13,14)(19,20)/rA:30nCCCCNCCONCNCCSCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s5;d16;s16;s18;s19;d20;s21;d22;d19s23;s18;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1878 |
Area: | 663.397 |
Solvation: | -4.39718 |
Coulombic: | -44.7719 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 421.556 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.8 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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