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Chemical ID: 6158876
Chemical ID:
6158876
Name [?]:
N-(5-ethyl-4-phenyl-thiazol-2-yl)-3,3-diphenyl-propanamide
SMILES [?]:
CCc1c(nc(s1)NC(=O)CC(c2ccccc2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C26H24N2OS/c1-2-23-25(21-16-10-5-11-17-21)28-26(30-23)27-24(29)18-22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17,22H,2,18H2,1H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,16,22,28,15,17,21,23,27,29,14,18,20,24,26,30,11,13,19,25,12,3,9,4,6,8,5,10,7/E:(3,4)(6,7,8,9)(10,11)(12,13,14,15)(16,17)(19,20)/rA:30nCCCCNCSNCOCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;s4;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7627 |
Area: | 652.392 |
Solvation: | -3.54713 |
Coulombic: | -29.9958 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 412.548 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.4 |
LogP (Chemaxon): | 6.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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