Chemical ID: 6545083

c1ccc(cc1)N2CCN(CC2)C3=CC4=CC(=C(C#N)C#N)CCC4CC3
Chemical ID:
6545083
Name [?]:
2-[7-(4-phenylpiperazin-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C3=CC4=CC(=C(C#N)C#N)CCC4CC3
InChi [?]:
InChI=1/C23H24N4/c24-16-21(17-25)19-7-6-18-8-9-23(15-20(18)14-19)27-12-10-26(11-13-27)22-4-2-1-3-5-22/h1-5,14-15,18H,6-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,24,23,26,27,8,12,9,11,16,14,19,21,25,17,15,18,4,13,20,22,7,10/E:(2,3)(4,5)(10,11)(12,13)(16,17)(24,25)/rA:27cCCCCCCNCCNCCCCCCCCCNCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s14;d15;s16;d17;s18;t19;s18;t21;s17;s23;s15s24;s25;s13s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.9267
Area:591.606
Solvation:-2.86344
Coulombic:-20.4353
Bond Count [?]
All:30
Single:22
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:356.464
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.2
LogP (Chemaxon):3.07

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Descriptor Annotations

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