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Chemical ID: 6008291
Chemical ID:
6008291
Name [?]:
3-(cyclohexylmethylcarbamoylmethyl)-N,N-dimethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CN(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NCC4CCCCC4
InChi [?]:
InChI=1/C25H37N5O3/c1-27(2)24(33)28-15-13-25(14-16-28)23(32)29(19-30(25)21-11-7-4-8-12-21)18-22(31)26-17-20-9-5-3-6-10-20/h4,7-8,11-12,20H,3,5-6,9-10,13-19H2,1-2H3,(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,3,31,20,30,32,19,21,29,33,18,22,8,10,7,11,27,23,15,28,17,24,12,4,9,26,2,6,14,16,25,13,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:33cCNCCONCCCCCCONCNCCCCCCCCONCCCCCCC/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;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H37N5O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7276 |
Area: | 672.884 |
Solvation: | -5.09451 |
Coulombic: | -70.9755 |
Bond Count [?]
All: | 36 |
Single: | 30 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 455.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.81 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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