5-(3,4-dimethoxyphenyl)-2-phenyl-3-sulfanylidene-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-2-phenyl-3-sulfanylidene-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
5-(3,4-dimethoxyphenyl)-2-phenyl-3-sulfanylidene-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Compound characteristics
| Compound ID: | Y505-4774 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-2-phenyl-3-sulfanylidene-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C27 H23 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)C1c2c(CC3C(N(C(N13)=S)c1ccccc1)=O)c1ccccc1[nH]2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0315 |
| logD: | 4.0315 |
| logSw: | -4.4496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.494 |
| InChI Key: | JQMLLQQABAIHEL-UHFFFAOYSA-N |