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Chemical ID: 6687954
Chemical ID:
6687954
Name [?]:
tert-butyl (1-oxiran-2-yl-2-phenyl-ethyl)aminoformate
SMILES [?]:
CC(C)(C)OC(=O)NC(Cc1ccccc1)C2CO2
InChi [?]:
InChI=1/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,13,15,12,16,10,18,11,9,17,6,2,8,7,19,5/E:(1,2,3)(5,6)(7,8)/rA:19cCCCCOCONCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.32939 |
Area: | 463.836 |
Solvation: | -3.26652 |
Coulombic: | -43.6732 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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