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Chemical ID: 6008248
Chemical ID:
6008248
Name [?]:
N-(cyclohexylmethyl)-2-[8-(2,2-dimethylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NCC4CCCCC4
InChi [?]:
InChI=1/C27H40N4O3/c1-26(2,3)24(33)29-16-14-27(15-17-29)25(34)30(20-31(27)22-12-8-5-9-13-22)19-23(32)28-18-21-10-6-4-7-11-21/h5,8-9,12-13,21H,4,6-7,10-11,14-20H2,1-3H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,3,4,32,21,31,33,20,22,30,34,19,23,9,11,8,12,28,24,16,29,18,25,5,13,2,10,27,7,15,17,26,6,14/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:34cCCCCCONCCCCCCONCNCCCCCCCCONCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s10s16;s17;s18;d19;s20;d21;d18s22;s15;s24;d25;s25;s27;s28;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H40N4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5282 |
Area: | 697.24 |
Solvation: | -4.90284 |
Coulombic: | -62.2585 |
Bond Count [?]
All: | 37 |
Single: | 31 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 468.632 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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