Chemical ID: 3918433

Cc1ccc2nc(c(n2c1)NCc3ccc(cc3)OC)c4ccc(cc4)OC
Chemical ID:
3918433
Name [?]:
8-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1ccc2nc(c(n2c1)NCc3ccc(cc3)OC)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H23N3O2/c1-16-4-13-21-25-22(18-7-11-20(28-3)12-8-18)23(26(21)15-16)24-14-17-5-9-19(27-2)10-6-17/h4-13,15,24H,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,28,3,14,18,22,26,15,17,23,25,4,12,10,2,13,21,16,24,5,7,8,11,6,9,19,27/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCCCCCNCCNCNCCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s7;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.3595
Area:602.163
Solvation:-4.69461
Coulombic:-39.6091
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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