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Chemical ID: 7296490
Chemical ID:
7296490
Name [?]:
2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-2,4-diazaspiro[4.6]undecane-1,3-dione
SMILES [?]:
Cc1cc(c(n1CCOC)C)C(=O)CN2C(=O)C3(CCCCCC3)NC2=O
InChi [?]:
InChI=1/C20H29N3O4/c1-14-12-16(15(2)22(14)10-11-27-3)17(24)13-23-18(25)20(21-19(23)26)8-6-4-5-7-9-20/h12H,4-11,13H2,1-3H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,11,10,21,22,20,23,19,24,7,8,3,14,2,5,4,12,16,26,18,25,6,15,13,17,27,9/E:(4,5)(6,7)(8,9)/rA:27nCCCCCNCCOCCCOCNCOCCCCCCCNCO/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;s5;s4;d12;s12;s14;s15;d16;s16;s18;s19;s20;s21;s22;s18s23;s18;s15s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29N3O4 |
All Atoms: | 56 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0073 |
Area: | 592.319 |
Solvation: | -4.80066 |
Coulombic: | -60.6255 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.462 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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