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Chemical ID: 5999269
Chemical ID:
5999269
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(c(c3)Cl)Cl)c4ccccc4
InChi [?]:
InChI=1/C24H27Cl2N5O3/c1-28(2)21(32)15-30-16-31(18-6-4-3-5-7-18)24(22(30)33)10-12-29(13-11-24)23(34)27-17-8-9-19(25)20(26)14-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,27,34)
InChi Info:
AuxInfo=1/1/N:1,3,32,31,33,30,34,22,23,13,17,14,16,26,6,8,21,29,24,25,4,11,18,10,28,27,20,2,15,7,9,5,12,19/E:(1,2)(4,5)(6,7)(10,11)(12,13)/rA:34cCNCCOCNCNCCOCCNCCCONCCCCCCClClCCCCCC/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;s25;s24;s9;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27Cl2N5O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1517 |
Area: | 709.55 |
Solvation: | -4.58704 |
Coulombic: | -71.2681 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 504.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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