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Chemical ID: 6475341
Chemical ID:
6475341
Name [?]:
3,4,5-trimethoxy-N-(4-methyl-8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-benzamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3cc(c(c(c3)OC)OC)OC)c4ccccc4
InChi [?]:
InChI=1/C24H23N3O4/c1-15-10-11-27-20(12-15)25-21(16-8-6-5-7-9-16)23(27)26-24(28)17-13-18(29-2)22(31-4)19(14-17)30-3/h5-14H,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,21,25,23,29,28,30,27,31,3,4,7,19,15,2,26,14,18,16,6,9,17,10,12,8,11,5,13,20,24,22/E:(2,3)(6,7)(8,9)(13,14)(18,19)(29,30)/rA:31nCCCCNCCNCCNCOCCCCCCOCOCOCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s16;s24;s9;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46693 |
Area: | 630.784 |
Solvation: | -7.30267 |
Coulombic: | -54.8009 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 417.457 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.13 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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