Chemical ID: 5222497

COC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)CC4
Chemical ID:
5222497
Name [?]:
None
SMILES [?]:
COC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)CC4
InChi [?]:
InChI=1/C16H16N2O3/c1-21-16(20)13-8-10-9-4-2-3-5-11(9)17-15(10)12-6-7-14(19)18(12)13/h2-5,12-13,17H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,21,20,6,8,7,13,16,5,18,15,3,14,17,19,4,2/rA:21cCOCOCCCCCCCCCNCCNCOCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s15;s5s16;s17;d18;s18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.02045
Area:451.283
Solvation:-3.26163
Coulombic:-45.7366
Bond Count [?]
All:24
Single:18
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:284.31
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.38
LogP (Chemaxon):1.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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