Chemical ID: 5998649

CCCCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(cc4)F
Chemical ID:
5998649
Name [?]:
N-(4-fluorophenyl)-2-(8-heptanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-acetamide
SMILES [?]:
CCCCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C28H35FN4O3/c1-2-3-4-8-11-26(35)31-18-16-28(17-19-31)27(36)32(21-33(28)24-9-6-5-7-10-24)20-25(34)30-23-14-12-22(29)13-15-23/h5-7,9-10,12-15H,2-4,8,11,16-21H2,1H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,23,22,24,5,21,25,6,32,34,31,35,11,13,10,14,26,18,33,30,20,27,7,15,12,36,29,9,17,19,28,8,16/E:(6,7)(9,10)(12,13)(14,15)(16,17)(18,19)/rA:36cCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s12s18;s19;s20;d21;s22;d23;d20s24;s17;s26;d27;s27;s29;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35FN4O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.5651
Area:749.905
Solvation:-6.18254
Coulombic:-64.465
Bond Count [?]
All:39
Single:30
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:494.601
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.84
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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