Chemical ID: 5998804

CCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccccc3F)c4ccccc4
Chemical ID:
5998804
Name [?]:
2-[8-(2-fluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-propyl-acetamide
SMILES [?]:
CCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccccc3F)c4ccccc4
InChi [?]:
InChI=1/C25H29FN4O3/c1-2-14-27-22(31)17-29-18-30(19-8-4-3-5-9-19)25(24(29)33)12-15-28(16-13-25)23(32)20-10-6-7-11-21(20)26/h3-11H,2,12-18H2,1H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,2,31,30,32,23,24,29,33,22,25,14,18,3,15,17,7,9,28,21,26,5,19,12,11,27,4,16,8,10,6,20,13/E:(4,5)(8,9)(12,13)(15,16)/rA:33cCCCNCOCNCNCCOCCNCCCOCCCCCCFCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s8s11;d12;s11;s14;s15;s16;s11s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s26;s10;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29FN4O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.167
Area:665.647
Solvation:-5.47414
Coulombic:-66.904
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:452.521
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.24
LogP (Chemaxon):2.54

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Experimental Annotations

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Descriptor Annotations

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