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Chemical ID: 6240338
Chemical ID:
6240338
Name [?]:
3-methoxy-N-[8-(4-methoxyphenyl)-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]-benzamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)OC)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H21N3O3/c1-15-11-12-26-20(13-15)24-21(16-7-9-18(28-2)10-8-16)22(26)25-23(27)17-5-4-6-19(14-17)29-3/h4-14H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,29,21,16,15,17,23,27,24,26,3,4,7,19,2,22,14,25,18,6,9,10,12,8,11,5,13,28,20/E:(7,8)(9,10)/rA:29nCCCCNCCNCCNCOCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s9;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76281 |
Area: | 608.784 |
Solvation: | -5.45679 |
Coulombic: | -48.0694 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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