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Chemical ID: 5999365
Chemical ID:
5999365
Name [?]:
N-benzyl-3-(morpholinocarbonylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCOCC5
InChi [?]:
InChI=1/C27H33N5O4/c33-24(29-15-17-36-18-16-29)20-31-21-32(23-9-5-2-6-10-23)27(25(31)34)11-13-30(14-12-27)26(35)28-19-22-7-3-1-4-8-22/h1-10H,11-21H2,(H,28,35)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,26,3,5,23,27,13,15,12,16,32,36,33,35,7,28,20,4,22,29,17,9,14,8,31,11,19,21,30,18,10,34/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:36cCCCCCCCNCONCCCCCCONCNCCCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s14s20;s21;s22;d23;s24;d25;d22s26;s19;s28;d29;s29;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H33N5O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6851 |
Area: | 726.689 |
Solvation: | -6.48217 |
Coulombic: | -79.4071 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 491.582 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 1.67 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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