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Chemical ID: 5999272
Chemical ID:
5999272
Name [?]:
3-(dimethylcarbamoylmethyl)-N,N-bis[3-(dimethylcarbamoylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-9-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CN(C)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccc(cc3)OC)c4ccccc4
InChi [?]:
InChI=1/C25H31N5O4/c1-27(2)22(31)17-29-18-30(20-7-5-4-6-8-20)25(23(29)32)13-15-28(16-14-25)24(33)26-19-9-11-21(34-3)12-10-19/h4-12H,13-18H2,1-3H3,(H,26,33)
InChi Info:
AuxInfo=1/1/N:1,3,28,32,31,33,30,34,22,26,23,25,13,17,14,16,6,8,21,29,24,4,11,18,10,20,2,15,7,9,5,12,19,27/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:34cCNCCOCNCNCCOCCNCCCONCCCCCCOCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s7s10;d11;s10;s13;s14;s15;s10s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;s9;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H31N5O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0876 |
Area: | 684.596 |
Solvation: | -6.02733 |
Coulombic: | -77.2307 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 465.545 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 1.85 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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