5-(3,4-dimethoxyphenyl)-2-ethyl-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-ethyl-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-ethyl-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: | Y505-4731 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-2-ethyl-3-sulfanylidene-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | CCN1C(C2Cc3c4ccccc4[nH]c3C(c3ccc(c(c3)OC)OC)N2C1=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3267 |
| logD: | 3.3267 |
| logSw: | -3.6889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.102 |
| InChI Key: | OFRSGGHMZGCSGZ-UHFFFAOYSA-N |