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Chemical ID: 6008491
Chemical ID:
6008491
Name [?]:
3-(diethylcarbamoylmethyl)-N-ethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CCNC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(CC)CC
InChi [?]:
InChI=1/C22H33N5O3/c1-4-23-21(30)25-14-12-22(13-15-25)20(29)26(16-19(28)24(5-2)6-3)17-27(22)18-10-8-7-9-11-18/h7-11H,4-6,12-17H2,1-3H3,(H,23,30)
InChi Info:
AuxInfo=1/1/N:1,28,30,2,27,29,20,19,21,18,22,8,10,7,11,23,15,17,24,12,4,9,3,26,6,14,16,25,13,5/E:(2,3)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:30cCCNCONCCCCCCONCNCCCCCCCCONCCCC/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;s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H33N5O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3886 |
Area: | 643.697 |
Solvation: | -4.70385 |
Coulombic: | -70.4511 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 415.529 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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