Chemical ID: 5927700

Cc1cccn2c1nc(c2NCc3ccccc3)c4cc(ccc4OC)OC
Chemical ID:
5927700
Name [?]:
N-benzyl-8-(2,5-dimethoxyphenyl)-5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cccn2c1nc(c2NCc3ccccc3)c4cc(ccc4OC)OC
InChi [?]:
InChI=1/C23H23N3O2/c1-16-8-7-13-26-22(16)25-21(19-14-18(27-2)11-12-20(19)28-3)23(26)24-15-17-9-5-4-6-10-17/h4-14,24H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,26,16,15,17,4,3,14,18,22,23,5,20,12,2,13,21,19,24,9,7,10,11,8,6,27,25/E:(5,6)(9,10)/rA:28nCCCCCNCNCCNCCCCCCCCCCCCCOCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;s11;s12;s13;d14;s15;d16;d13s17;s9;s19;d20;s21;d22;d19s23;s24;s25;s21;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.52844
Area:588.965
Solvation:-5.19567
Coulombic:-38.7528
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:373.448
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.76
LogP (Chemaxon):4.68

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Descriptor Annotations

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