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Chemical ID: 5998420
Chemical ID:
5998420
Name [?]:
2-(8-cyclopentylcarbonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-N,N-dimethyl-acetamide
SMILES [?]:
CN(C)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C3CCCC3)c4ccccc4
InChi [?]:
InChI=1/C23H32N4O3/c1-24(2)20(28)16-26-17-27(19-10-4-3-5-11-19)23(22(26)30)12-14-25(15-13-23)21(29)18-8-6-7-9-18/h3-5,10-11,18H,6-9,12-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,28,27,29,22,23,21,24,26,30,13,17,14,16,6,8,20,25,4,18,11,10,2,15,7,9,5,19,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30cCNCCOCNCNCCOCCNCCCOCCCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s7s10;d11;s10;s13;s14;s15;s10s16;s15;d18;s18;s20;s21;s22;s20s23;s9;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N4O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9219 |
Area: | 615.628 |
Solvation: | -4.46879 |
Coulombic: | -56.7116 |
Bond Count [?]
All: | 33 |
Single: | 27 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 412.525 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.07 |
LogP (Chemaxon): | 1.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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