Chemical ID: 3861756

c1ccn2c(c1)nc(c2NC3CCCC3)c4ccc(cc4)F
Chemical ID:
3861756
Name [?]:
N-cyclopentyl-8-(4-fluorophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
c1ccn2c(c1)nc(c2NC3CCCC3)c4ccc(cc4)F
InChi [?]:
InChI=1/C18H18FN3/c19-14-10-8-13(9-11-14)17-18(20-15-5-1-2-6-15)22-12-4-3-7-16(22)21-17/h3-4,7-12,15,20H,1-2,5-6H2
InChi Info:
AuxInfo=1/0/N:13,14,1,2,12,15,6,17,21,18,20,3,16,19,11,5,8,9,22,10,7,4/E:(1,2)(5,6)(8,9)(10,11)/rA:22nCCCNCCNCCNCCCCCCCCCCCF/rB:s1;d2;s3;s4;d1s5;d5;s7;s4d8;s9;s10;s11;s12;s13;s11s14;s8;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18FN3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.44808
Area:469.621
Solvation:-2.29244
Coulombic:-29.2955
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:295.354
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.5
LogP (Chemaxon):4.27

Name Annotations

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Descriptor Annotations

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