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Chemical ID: 5927700
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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