Chemical ID: 6473444

COc1ccccc1N2CCN(CC2)CCCN3C(=O)C4CCCN4C3=O
Chemical ID:
6473444
Name [?]:
7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-diazabicyclo[3.3.0]octane-6,8-dione
SMILES [?]:
COc1ccccc1N2CCN(CC2)CCCN3C(=O)C4CCCN4C3=O
InChi [?]:
InChI=1/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-14-12-21(13-15-22)9-5-11-24-19(25)17-7-4-10-23(17)20(24)26/h2-3,6,8,17H,4-5,7,9-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,23,16,7,22,4,15,24,17,11,13,10,14,8,21,3,19,26,12,9,25,18,20,27,2/E:(12,13)(14,15)/rA:27cCOCCCCCCNCCNCCCCCNCOCCCCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;d19;s19;s21;s22;s23;s21s24;s18s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N4O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.50059
Area:597.557
Solvation:-5.43833
Coulombic:-53.0366
Bond Count [?]
All:30
Single:25
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.461
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.51
LogP (Chemaxon):1.4

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Descriptor Annotations

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