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Chemical ID: 5999340

CCCCNC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(cc4)F

Chemical ID:

5999340

Name [?]:

N-butyl-3-[(4-fluorophenyl)carbamoylmethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

SMILES [?]:

CCCCNC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(cc4)F

InChi [?]:

InChI=1/C26H32FN5O3/c1-2-3-15-28-25(35)30-16-13-26(14-17-30)24(34)31(19-32(26)22-7-5-4-6-8-22)18-23(33)29-21-11-9-20(27)10-12-21/h4-12H,2-3,13-19H2,1H3,(H,28,35)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,2,3,22,21,23,20,24,31,33,30,34,10,12,4,9,13,25,17,32,29,19,26,14,6,11,35,5,28,8,16,18,27,15,7/E:(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)/rA:35cCCCCNCONCCCCCCONCNCCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s11s17;s18;s19;d20;s21;d22;d19s23;s16;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂FN₅O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2472
Area:	721.051
Solvation:	-5.77911
Coulombic:	-78.9323

Bond Count [?]

All:	38
Single:	29
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	481.563
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.3
LogP (Chemaxon):	3.34

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value