Chemical ID: 5244541

CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
Chemical ID:
5244541
Name [?]:
None
SMILES [?]:
CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
InChi [?]:
InChI=1/C16H15N3O3/c1-16(2)9-6-4-5-7-11(9)17-14(20)13-10(16)8-12(18-19-13)15(21)22-3/h4-8H,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,22,21,5,6,4,7,14,3,13,8,15,12,10,18,2,9,16,17,11,19,20/E:(1,2)/rA:22nCCCCCCCCNCOCCCCNNCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s2s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.50986
Area:466.471
Solvation:-3.15191
Coulombic:-46.6448
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:297.309
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.1
LogP (Chemaxon):1.24

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