{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone
Compound characteristics
| Compound ID: | E711-0258 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone |
| Molecular Weight: | 493.01 |
| Molecular Formula: | C27 H29 Cl N4 O3 |
| Smiles: | C1CCc2c(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)nc(c3ccc(cc3)[Cl])n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9129 |
| logD: | 4.7196 |
| logSw: | -5.1006 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.383 |
| InChI Key: | MQKWOTQRDBOSOZ-UHFFFAOYSA-N |