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Chemical ID: 6697372

c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F)Cc5cccc(c5)F

Chemical ID:

6697372

Name [?]:

2-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxo-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one

SMILES [?]:

c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F)Cc5cccc(c5)F

InChi [?]:

InChI=1/C30H31F2N3O2/c31-25-13-11-24(12-14-25)28(36)10-5-17-33-18-15-30(16-19-33)29(37)34(21-23-6-4-7-26(32)20-23)22-35(30)27-8-2-1-3-9-27/h1-4,6-9,11-14,20H,5,10,15-19,21-22H2

InChi Info:

AuxInfo=1/0/N:1,2,6,33,19,32,34,3,5,20,24,28,25,27,13,17,18,14,16,36,30,8,31,23,26,35,4,21,10,12,29,37,15,9,7,22,11/E:(2,3)(8,9)(11,12)(13,14)(15,16)(18,19)/rA:37cCCCCCCNCNCOCCCNCCCCCCOCCCCCCFCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;s18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s9;s30;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₁F₂N₃O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3463
Area:	732.235
Solvation:	-5.95954
Coulombic:	-46.494

Bond Count [?]

All:	41
Single:	30
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	503.583
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.49
LogP (Chemaxon):	5.18

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