Chemical ID: 5927796

Cc1cccc2n1c(c(n2)c3cc(ccc3OC)OC)NC4CCCCC4
Chemical ID:
5927796
Name [?]:
N-cyclohexyl-8-(2,5-dimethoxyphenyl)-5-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1cccc2n1c(c(n2)c3cc(ccc3OC)OC)NC4CCCCC4
InChi [?]:
InChI=1/C22H27N3O2/c1-15-8-7-11-20-24-21(18-14-17(26-2)12-13-19(18)27-3)22(25(15)20)23-16-9-5-4-6-10-16/h7-8,11-14,16,23H,4-6,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,25,24,26,4,3,23,27,5,14,15,12,2,22,13,11,16,6,9,8,21,10,7,19,17/E:(5,6)(9,10)/rA:27nCCCCCCNCCNCCCCCCOCOCNCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s9;s11;d12;s13;d14;d11s15;s16;s17;s13;s19;s8;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.64971
Area:534.786
Solvation:-4.71995
Coulombic:-37.4481
Bond Count [?]
All:30
Single:23
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.469
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.97
LogP (Chemaxon):4.03

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