Chemical ID: 5973155

CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCN(CC3)C(=O)C
Chemical ID:
5973155
Name [?]:
8-acetyl-5-[3-(4-acetylpiperazin-1-yl)carbonylpropyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCN(CC3)C(=O)C
InChi [?]:
InChI=1/C20H25N3O5/c1-14(24)16-5-6-18-17(12-16)23(20(27)13-28-18)7-3-4-19(26)22-10-8-21(9-11-22)15(2)25/h5-6,12H,3-4,7-11,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,16,17,5,6,15,22,24,21,25,9,13,2,26,4,8,7,18,11,23,20,10,3,27,19,12,14/E:(8,9)(10,11)/rA:28nCCOCCCCCCNCOCOCCCCONCCNCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.02323
Area:620.291
Solvation:-6.48404
Coulombic:-60.292
Bond Count [?]
All:30
Single:23
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.43
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:-0.1
LogP (Chemaxon):-1.38

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