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Chemical ID: 6003115
Chemical ID:
6003115
Name [?]:
2-[(2,2-diphenylacetyl)-pentyl-amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCCCCN(CC(=O)Nc1nc(cs1)C)C(=O)C(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C25H29N3O2S/c1-3-4-11-16-28(17-22(29)27-25-26-19(2)18-31-25)24(30)23(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18,23H,3-4,11,16-17H2,1-2H3,(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,23,29,22,24,28,30,4,21,25,27,31,5,7,14,13,20,26,8,19,17,11,12,10,6,9,18,15/E:(5,6)(7,8,9,10)(12,13,14,15)(20,21)/rA:31nCCCCCNCCONCNCCSCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s6;d17;s17;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29N3O2S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8552 |
Area: | 690.6 |
Solvation: | -4.40982 |
Coulombic: | -45.0774 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 435.583 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.83 |
LogP (Chemaxon): | 5.2 |
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
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