(2RS)-N-(4-ethoxyphenyl)-2-[(11bRS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide
Chemical Structure Depiction of
(2RS)-N-(4-ethoxyphenyl)-2-[(11bRS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide
(2RS)-N-(4-ethoxyphenyl)-2-[(11bRS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide
Compound characteristics
| Compound ID: | Y044-5667 |
| Compound Name: | (2RS)-N-(4-ethoxyphenyl)-2-[(11bRS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | CCOc1ccc(cc1)NC([C@H](C)N1C([C@]2(C)c3c(CCN2C1=O)c1ccccc1[nH]3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2188 |
| logD: | 3.2188 |
| logSw: | -3.514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.381 |
| InChI Key: | SSZIYVYETRVFDE-MQNRADLISA-N |