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Chemical ID: 6003035

Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3ccc(cc3)c4ccccc4

Chemical ID:

6003035

Name [?]:

N-cyclohexyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-4-phenyl-benzamide

SMILES [?]:

Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C25H27N3O2S/c1-18-17-31-25(26-18)27-23(29)16-28(22-10-6-3-7-11-22)24(30)21-14-12-20(13-15-21)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11,16H2,1H3,(H,26,27,29)

InChi Info:

AuxInfo=1/1/N:1,29,15,28,30,14,16,27,31,13,17,22,24,21,25,10,3,2,26,23,20,12,8,18,5,6,7,11,9,19,4/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:31nCCCSCNNCOCNCCCCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s11;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₇N₃O₂S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9895
Area:	668.115
Solvation:	-4.71333
Coulombic:	-44.7622

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	433.567
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.2
LogP (Chemaxon):	4.97

Name Annotations

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

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