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Chemical ID: 6032864

CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCCN2CCOCC2)C(=O)c3ccccc3

Chemical ID:

6032864

Name [?]:

N-isopropyl-N-[[4-(2-morpholinoethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCCN2CCOCC2)C(=O)c3ccccc3

InChi [?]:

InChI=1/C23H31N5O4S/c1-17(2)28(22(31)18-6-4-3-5-7-18)15-21(30)26-23-25-19(16-33-23)14-20(29)24-8-9-27-10-12-32-13-11-27/h3-7,16-17H,8-15H2,1-2H3,(H,24,29)(H,25,26,30)

InChi Info:

AuxInfo=1/1/N:1,3,31,30,32,29,33,18,19,21,25,22,24,14,5,12,2,28,11,15,6,26,9,17,10,8,20,4,16,7,27,23,13/E:(1,2)(4,5)(6,7)(10,11)(12,13)/rA:33nCCCNCCONCNCCSCCONCCNCCOCCCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;s20;s21;s22;s23;s20s24;s4;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₁N₅O₄S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6005
Area:	713.392
Solvation:	-7.23433
Coulombic:	-75.0208

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	473.59
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	0.76
LogP (Chemaxon):	1.34

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