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Chemical ID: 5941567
Chemical ID:
5941567
Name [?]:
N-[4-[2-(1-piperidyl)thiazol-4-yl]phenyl]naphthalene-1-carboxamide
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)Nc3ccc(cc3)c4csc(n4)N5CCCCC5
InChi [?]:
InChI=1/C25H23N3OS/c29-24(22-10-6-8-18-7-2-3-9-21(18)22)26-20-13-11-19(12-14-20)23-17-30-25(27-23)28-15-4-1-5-16-28/h2-3,6-14,17H,1,4-5,15-16H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:28,1,2,27,29,8,6,7,3,9,16,18,15,19,26,30,21,5,17,14,4,10,20,11,23,13,24,25,12,22/E:(4,5)(11,12)(13,14)(15,16)/rA:30nCCCCCCCCCCCONCCCCCCCCSCNNCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s21;s22;s20d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23N3OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0397 |
Area: | 635.665 |
Solvation: | -2.85193 |
Coulombic: | -37.4946 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 413.536 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.17 |
LogP (Chemaxon): | 6.43 |
Name Annotations
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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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