Chemical ID: 5928883

Cc1cccn2c1nc(c2NC(C)(C)CC(C)(C)C)c3cccc(c3)OC
Chemical ID:
5928883
Name [?]:
8-(3-methoxyphenyl)-5-methyl-N-(1,1,3,3-tetramethylbutyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cccn2c1nc(c2NC(C)(C)CC(C)(C)C)c3cccc(c3)OC
InChi [?]:
InChI=1/C23H31N3O/c1-16-10-9-13-26-20(16)24-19(17-11-8-12-18(14-17)27-7)21(26)25-23(5,6)15-22(2,3)4/h8-14,25H,15H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,13,14,27,22,4,3,21,23,5,25,15,2,20,24,9,7,10,16,12,8,11,6,26/E:(2,3,4)(5,6)/rA:27nCCCCCNCNCCNCCCCCCCCCCCCCCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;s11;s12;s12;s12;s15;s16;s16;s16;s9;s20;d21;s22;d23;d20s24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.951
Area:546.805
Solvation:-2.71914
Coulombic:-33.3793
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.512
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.48
LogP (Chemaxon):5.62

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