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Chemical ID: 6033574

c1c(nc(s1)NC(=O)CN(C2CC2)C(=O)C3CCCCC3)CC(=O)N4CCC5(CC4)OCCO5

Chemical ID:

6033574

Name [?]:

N-cyclopropyl-N-[[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonylmethyl)thiazol-2-yl]carbamoylmethyl]cyclohexanecarboxamide

SMILES [?]:

c1c(nc(s1)NC(=O)CN(C2CC2)C(=O)C3CCCCC3)CC(=O)N4CCC5(CC4)OCCO5

InChi [?]:

InChI=1/C24H34N4O5S/c29-20(15-28(19-6-7-19)22(31)17-4-2-1-3-5-17)26-23-25-18(16-34-23)14-21(30)27-10-8-24(9-11-27)32-12-13-33-24/h16-17,19H,1-15H2,(H,25,26,29)

InChi Info:

AuxInfo=1/1/N:19,18,20,17,21,12,13,27,29,26,30,32,33,22,9,1,16,2,11,7,23,14,4,28,3,6,25,10,8,24,15,31,34,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(32,33)/rA:34nCCNCSNCOCNCCCCOCCCCCCCCONCCCCCOCCO/rB:d1;s2;d3;s1s4;s4;s6;d7;s7;s9;s10;s11;s11s12;s10;d14;s14;s16;s17;s18;s19;s16s20;s2;s22;d23;s23;s25;s26;s27;s28;s25s29;s28;s31;s32;s28s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₄N₄O₅S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5562
Area:	721.375
Solvation:	-7.47818
Coulombic:	-71.858

Bond Count [?]

All:	38
Single:	33
Double:	5
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	490.617
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	1.39
LogP (Chemaxon):	2.45

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value