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Chemical ID: 5998379
Chemical ID:
5998379
Name [?]:
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-N,N-dimethyl-acetamide
SMILES [?]:
CCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C
InChi [?]:
InChI=1/C21H30N4O3/c1-4-8-18(26)23-13-11-21(12-14-23)20(28)24(15-19(27)22(2)3)16-25(21)17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,20,19,21,3,18,22,8,10,7,11,23,15,17,4,24,12,9,26,6,14,16,5,25,13/E:(2,3)(6,7)(9,10)(11,12)(13,14)/rA:28cCCCCONCCCCCCONCNCCCCCCCCONCC/rB:s1;s2;s3;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: | 9.83973 |
Area: | 601.395 |
Solvation: | -5.19515 |
Coulombic: | -55.3629 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.488 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.55 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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