ChemDB: Chemical Search
Download
Chemical ID: 5998408
Chemical ID:
5998408
Name [?]:
N,N-dimethyl-2-[8-(2-methylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CC(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C
InChi [?]:
InChI=1/C21H30N4O3/c1-16(2)19(27)23-12-10-21(11-13-23)20(28)24(14-18(26)22(3)4)15-25(21)17-8-6-5-7-9-17/h5-9,16H,10-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,27,28,20,19,21,18,22,8,10,7,11,23,15,2,17,24,4,12,9,26,6,14,16,25,5,13/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:28cCCCCONCCCCCCONCNCCCCCCCCONCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s9s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30N4O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.57275 |
Area: | 588.068 |
Solvation: | -5.12895 |
Coulombic: | -55.5961 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.488 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|