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Chemical ID: 6914704
Chemical ID:
6914704
Name [?]:
N-[1-[2-(4-ethyl-5-oxo-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidyl]-N-phenyl-propanamide
SMILES [?]:
CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCn3c(=O)n(nn3)CC)COC
InChi [?]:
InChI=1/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,30,2,26,9,8,10,7,11,13,17,14,16,18,19,28,6,3,21,12,24,25,15,23,20,5,4,22,29/E:(7,8)(9,10)(11,12)(13,14)/rA:30nCCCONCCCCCCCCCNCCCCNCONNNCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s5;s12;s13;s14;s15;s12s16;s15;s18;s19;s20;d21;s21;s23;s20d24;s23;s26;s12;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H32N6O3 |
All Atoms: | 62 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7823 |
Area: | 624.634 |
Solvation: | -3.83357 |
Coulombic: | -48.357 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 416.517 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.2 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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