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Chemical ID: 5999190

Cc1ccc(cc1Cl)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCCC5

Chemical ID:

5999190

Name [?]:

N-(3-chloro-4-methyl-phenyl)-4-oxo-1-phenyl-3-(1-piperidylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

SMILES [?]:

Cc1ccc(cc1Cl)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCCC5

InChi [?]:

InChI=1/C28H34ClN5O3/c1-21-10-11-22(18-24(21)29)30-27(37)32-16-12-28(13-17-32)26(36)33(19-25(35)31-14-6-3-7-15-31)20-34(28)23-8-4-2-5-9-23/h2,4-5,8-11,18H,3,6-7,12-17,19-20H2,1H3,(H,30,37)

InChi Info:

AuxInfo=1/1/N:1,26,35,25,27,34,36,24,28,3,4,14,16,33,37,13,17,6,29,21,2,5,23,7,30,18,10,15,8,9,32,12,20,22,31,19,11/E:(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:37cCCCCCCCClNCONCCCCCCONCNCCCCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s15s21;s22;s23;d24;s25;d26;d23s27;s20;s29;d30;s30;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₄ClN₅O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	13.6128
Area:	747.487
Solvation:	-5.07436
Coulombic:	-70.9855

Bond Count [?]

All:	41
Single:	32
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	524.054
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.64
LogP (Chemaxon):	3.95

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