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Chemical ID: 6003040

Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3ccc4ccccc4c3

Chemical ID:

6003040

Name [?]:

N-cyclohexyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]naphthalene-2-carboxamide

SMILES [?]:

Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3ccc4ccccc4c3

InChi [?]:

InChI=1/C23H25N3O2S/c1-16-15-29-23(24-16)25-21(27)14-26(20-9-3-2-4-10-20)22(28)19-12-11-17-7-5-6-8-18(17)13-19/h5-8,11-13,15,20H,2-4,9-10,14H2,1H3,(H,24,25,27)

InChi Info:

AuxInfo=1/1/N:1,15,14,16,25,26,24,27,13,17,22,21,29,10,3,2,23,28,20,12,8,18,5,6,7,11,9,19,4/E:(3,4)(9,10)/rA:29nCCCSCNNCOCNCCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s11;d18;s18;s20;d21;s22;s23;d24;s25;d26;d23s27;d20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0248
Area:	622.71
Solvation:	-4.54294
Coulombic:	-43.9392

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	407.53
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.52
LogP (Chemaxon):	4.29

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value