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Chemical ID: 6032999

COCCN(CC(=O)Nc1nc(cs1)CC(=O)NCc2ccccc2)C(=O)C3CCCCC3

Chemical ID:

6032999

Name [?]:

N-[[4-(benzylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide

SMILES [?]:

COCCN(CC(=O)Nc1nc(cs1)CC(=O)NCc2ccccc2)C(=O)C3CCCCC3

InChi [?]:

InChI=1/C24H32N4O4S/c1-32-13-12-28(23(31)19-10-6-3-7-11-19)16-22(30)27-24-26-20(17-33-24)14-21(29)25-15-18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3,(H,25,29)(H,26,27,30)

InChi Info:

AuxInfo=1/1/N:1,23,31,22,24,30,32,21,25,29,33,4,3,15,19,6,13,20,28,12,16,7,26,10,18,11,9,5,17,8,27,2,14/E:(4,5)(6,7)(8,9)(10,11)/rA:33nCOCCNCCONCNCCSCCONCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s5;d26;s26;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₄O₄S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1534
Area:	733.233
Solvation:	-8.17738
Coulombic:	-67.9181

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	14
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	472.601
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.14
LogP (Chemaxon):	2.7

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

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

Chemical Mix	Source	External ID	Descriptor	Value