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Chemical ID: 5998510

c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)C4CCC4)CC(=O)NCc5ccc6c(c5)OCO6

Chemical ID:

5998510

Name [?]:

N-(benzo[1,3]dioxol-5-ylmethyl)-2-(8-cyclobutylcarbonyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]dec-2-yl)-acetamide

SMILES [?]:

c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)C4CCC4)CC(=O)NCc5ccc6c(c5)OCO6

InChi [?]:

InChI=1/C28H32N4O5/c33-25(29-16-20-9-10-23-24(15-20)37-19-36-23)17-31-18-32(22-7-2-1-3-8-22)28(27(31)35)11-13-30(14-12-28)26(34)21-5-4-6-21/h1-3,7-10,15,21H,4-6,11-14,16-19H2,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,2,6,22,21,23,3,5,30,31,13,17,14,16,34,28,24,8,36,29,20,4,32,33,25,18,10,12,27,15,9,7,26,19,11,37,35/E:(2,3)(5,6)(7,8)(11,12)(13,14)/rA:37cCCCCCCNCNCOCCCNCCCOCCCCCCONCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s20s22;s9;s24;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;s33;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₂N₄O₅
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6956
Area:	733.742
Solvation:	-6.648
Coulombic:	-77.3035

Bond Count [?]

All:	42
Single:	33
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	504.578
H-Bond Donors:	1
H-Bond Acceptors:	9
XLogP:	2.82
LogP (Chemaxon):	2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value