Chemical ID: 6013877

Cc1cccc(c1)NC(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)CCC4CCCC4)c5ccccc5
Chemical ID:
6013877
Name [?]:
2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-(m-tolyl)acetamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)CCC4CCCC4)c5ccccc5
InChi [?]:
InChI=1/C30H38N4O3/c1-23-8-7-11-25(20-23)31-27(35)21-33-22-34(26-12-3-2-4-13-26)30(29(33)37)16-18-32(19-17-30)28(36)15-14-24-9-5-6-10-24/h2-4,7-8,11-13,20,24H,5-6,9-10,14-19,21-22H2,1H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,35,34,36,29,30,4,3,28,31,5,33,37,26,25,18,22,19,21,7,11,13,2,27,6,32,9,23,16,15,8,20,12,14,10,24,17/E:(3,4)(5,6)(9,10)(12,13)(16,17)(18,19)/rA:37cCCCCCCCNCOCNCNCCOCCNCCCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s12s15;d16;s15;s18;s19;s20;s15s21;s20;d23;s23;s25;s26;s27;s28;s29;s27s30;s14;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H38N4O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:14.0134
Area:753.763
Solvation:-4.83069
Coulombic:-61.8516
Bond Count [?]
All:41
Single:32
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:502.648
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.28
LogP (Chemaxon):4.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue