Chemical ID: 6008283

c1ccc(cc1)C=CC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCC5CCCCC5
Chemical ID:
6008283
Name [?]:
N-(cyclohexylmethyl)-2-[4-oxo-1-phenyl-8-(3-phenylprop-2-enoyl)-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
c1ccc(cc1)C=CC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCC5CCCCC5
InChi [?]:
InChI=1/C31H38N4O3/c36-28(32-22-26-12-6-2-7-13-26)23-34-24-35(27-14-8-3-9-15-27)31(30(34)38)18-20-33(21-19-31)29(37)17-16-25-10-4-1-5-11-25/h1,3-5,8-11,14-17,26H,2,6-7,12-13,18-24H2,(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,36,25,2,6,35,37,24,26,3,5,34,38,23,27,7,8,13,15,12,16,32,28,20,4,33,22,29,9,17,14,31,11,19,21,30,10,18/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(18,19)(20,21)/rA:38cCCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s14s20;s21;s22;d23;s24;d25;d22s26;s19;s28;d29;s29;s31;s32;s33;s34;s35;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H38N4O3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:13.624
Area:764.959
Solvation:-5.49995
Coulombic:-63.7295
Bond Count [?]
All:42
Single:32
Double:10
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:514.659
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.02
LogP (Chemaxon):4.08

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Descriptor Annotations

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