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Chemical ID: 5999374
Chemical ID:
5999374
Name [?]:
N-(2-ethylphenyl)-3-(morpholinocarbonylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CCc1ccccc1NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCOCC5
InChi [?]:
InChI=1/C28H35N5O4/c1-2-22-8-6-7-11-24(22)29-27(36)31-14-12-28(13-15-31)26(35)32(20-25(34)30-16-18-37-19-17-30)21-33(28)23-9-4-3-5-10-23/h3-11H,2,12-21H2,1H3,(H,29,36)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,5,6,4,24,28,7,14,16,13,17,33,37,34,36,29,21,3,23,8,30,18,10,15,9,32,12,20,22,31,19,11,35/E:(4,5)(9,10)(12,13)(14,15)(16,17)(18,19)/rA:37cCCCCCCCCNCONCCCCCCONCNCCCCCCCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s15s21;s22;s23;d24;s25;d26;d23s27;s20;s29;d30;s30;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H35N5O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6551 |
Area: | 730.896 |
Solvation: | -6.61728 |
Coulombic: | -78.4058 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 505.609 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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