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Chemical ID: 6008588

CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)S(=O)(=O)c3c(cc(cc3C)C)C)c4ccccc4

Chemical ID:

6008588

Name [?]:

N,N-diethyl-2-[4-oxo-1-phenyl-8-(2,4,6-trimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide

SMILES [?]:

CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)S(=O)(=O)c3c(cc(cc3C)C)C)c4ccccc4

InChi [?]:

InChI=1/C28H38N4O4S/c1-6-29(7-2)25(33)19-30-20-32(24-11-9-8-10-12-24)28(27(30)34)13-15-31(16-14-28)37(35,36)26-22(4)17-21(3)18-23(26)5/h8-12,17-18H,6-7,13-16,19-20H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,5,30,29,31,2,4,35,34,36,33,37,15,19,16,18,27,25,8,10,26,28,24,32,6,23,13,12,3,9,17,11,7,14,21,22,20/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(22,23)(35,36)/CRV:37.6/rA:37cCCNCCCOCNCNCCOCCNCCSOOCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;d20;s20;s23;d24;s25;d26;d23s27;s28;s26;s24;s11;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₈N₄O₄S
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	14.0834
Area:	731.671
Solvation:	-4.2084
Coulombic:	-49.2628

Bond Count [?]

All:	40
Single:	30
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	526.692
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	3.72
LogP (Chemaxon):	3.9

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