Chemical ID: 7255109

c1ccn2cc(nc2c1)C(=O)N3CCN(CC3)c4cccc(c4)Cl
Chemical ID:
7255109
Name [?]:
[4-(3-chlorophenyl)piperazin-1-yl]-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)methanone
SMILES [?]:
c1ccn2cc(nc2c1)C(=O)N3CCN(CC3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C18H17ClN4O/c19-14-4-3-5-15(12-14)21-8-10-22(11-9-21)18(24)16-13-23-7-2-1-6-17(23)20-16/h1-7,12-13H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,20,21,19,9,3,14,16,13,17,23,5,22,18,6,8,10,24,7,15,12,4,11/E:(8,9)(10,11)/rA:24nCCCNCCNCCCONCCNCCCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;s4d7;d1s8;s6;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClN4O
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7391
Area:533.318
Solvation:-2.59382
Coulombic:-37.1089
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:340.807
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):3.36

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Descriptor Annotations

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