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Chemical ID: 3918404
Chemical ID:
3918404
Name [?]:
8-(3,4-dimethoxyphenyl)-4-methyl-N-phenethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccn2c(c1)nc(c2NCCc3ccccc3)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C24H25N3O2/c1-17-12-14-27-22(15-17)26-23(19-9-10-20(28-2)21(16-19)29-3)24(27)25-13-11-18-7-5-4-6-8-18/h4-10,12,14-16,25H,11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,27,17,16,18,15,19,21,22,13,3,12,4,7,25,2,14,20,23,24,6,9,10,11,8,5,28,26/E:(5,6)(7,8)/rA:29nCCCCNCCNCCNCCCCCCCCCCCCCCOCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s9;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3381 |
Area: | 621.868 |
Solvation: | -5.20862 |
Coulombic: | -39.8189 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.474 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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