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Chemical ID: 5999270
Chemical ID:
5999270
Name [?]:
3-(dimethylcarbamoylmethyl)-4-oxo-1-phenyl-N-tert-butyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C
InChi [?]:
InChI=1/C22H33N5O3/c1-21(2,3)23-20(30)25-13-11-22(12-14-25)19(29)26(15-18(28)24(4)5)16-27(22)17-9-7-6-8-10-17/h6-10H,11-16H2,1-5H3,(H,23,30)
InChi Info:
AuxInfo=1/1/N:1,3,4,29,30,22,21,23,20,24,10,12,9,13,25,17,19,26,14,6,2,11,5,28,8,16,18,27,15,7/E:(1,2,3)(4,5)(7,8)(9,10)(11,12)(13,14)/rA:30cCCCCNCONCCCCCCONCNCCCCCCCCONCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s11s17;s18;s19;d20;s21;d22;d19s23;s16;s25;d26;s26;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H33N5O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0628 |
Area: | 630.829 |
Solvation: | -4.70794 |
Coulombic: | -70.1909 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 415.529 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 1.66 |
LogP (Chemaxon): | 0.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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