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Chemical ID: 6010760

CN(Cc1ccccc1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)c4ccccc4Cl)c5ccccc5

Chemical ID:

6010760

Name [?]:

N-benzyl-2-[8-(2-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-methyl-acetamide

SMILES [?]:

CN(Cc1ccccc1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)c4ccccc4Cl)c5ccccc5

InChi [?]:

InChI=1/C30H31ClN4O3/c1-32(20-23-10-4-2-5-11-23)27(36)21-34-22-35(24-12-6-3-7-13-24)30(29(34)38)16-18-33(19-17-30)28(37)25-14-8-9-15-26(25)31/h2-15H,16-22H2,1H3

InChi Info:

AuxInfo=1/0/N:1,7,36,6,8,35,37,28,29,5,9,34,38,27,30,19,23,20,22,3,12,14,4,33,26,31,10,24,17,16,32,2,21,13,15,11,25,18/E:(4,5)(6,7)(10,11)(12,13)(16,17)(18,19)/rA:38cCNCCCCCCCCOCNCNCCOCCNCCCOCCCCCCClCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;s14;s15;s13s16;d17;s16;s19;s20;s21;s16s22;s21;d24;s24;s26;d27;s28;d29;d26s30;s31;s15;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₁ClN₄O₃
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	13.7723
Area:	747.039
Solvation:	-4.90372
Coulombic:	-60.9077

Bond Count [?]

All:	42
Single:	30
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	531.045
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.77
LogP (Chemaxon):	4.13

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