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Chemical ID: 5939905
Chemical ID:
5939905
Name [?]:
N-[4-(2-diethylaminothiazol-4-yl)phenyl]adamantane-1-carboxamide
SMILES [?]:
CCN(CC)c1nc(cs1)c2ccc(cc2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C24H31N3OS/c1-3-27(4-2)23-26-21(15-29-23)19-5-7-20(8-6-19)25-22(28)24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,15-18H,3-4,9-14H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,16,13,15,23,26,28,25,21,29,9,24,22,27,11,14,8,18,6,20,17,7,3,19,10/E:(1,2)(3,4)(5,6)(7,8)(9,10,11)(12,13,14)(16,17,18)/rA:29nCCNCCCNCCSCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s26;s22s27;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N3OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1819 |
Area: | 625.556 |
Solvation: | -2.457 |
Coulombic: | -35.3589 |
Bond Count [?]
All: | 33 |
Single: | 27 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.589 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.12 |
LogP (Chemaxon): | 6.19 |
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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