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Chemical ID: 5999243
Chemical ID:
5999243
Name [?]:
3-(2-methoxyethylcarbamoylmethyl)-N,N-bis[3-(2-methoxyethylcarbamoylmethyl)-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 [?]:
COCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3cccc4c3cccc4)c5ccccc5
InChi [?]:
InChI=1/C29H33N5O4/c1-38-19-16-30-26(35)20-33-21-34(23-10-3-2-4-11-23)29(27(33)36)14-17-32(18-15-29)28(37)31-25-13-7-9-22-8-5-6-12-24(22)25/h2-13H,14-21H2,1H3,(H,30,35)(H,31,37)
InChi Info:
AuxInfo=1/1/N:1,36,35,37,31,30,25,32,26,34,38,29,24,15,19,4,16,18,3,8,10,27,33,28,23,6,13,20,12,5,22,17,9,11,7,14,21,2/E:(3,4)(10,11)(14,15)(17,18)/rA:38cCOCCNCOCNCNCCOCCNCCCONCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;s11;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H33N5O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3976 |
Area: | 753.507 |
Solvation: | -6.44007 |
Coulombic: | -84.0721 |
Bond Count [?]
All: | 42 |
Single: | 31 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 515.604 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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