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Chemical ID: 5941567

c1ccc2c(c1)cccc2C(=O)Nc3ccc(cc3)c4csc(n4)N5CCCCC5

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value