[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | E475-1028 |
| Compound Name: | [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C26 H29 N5 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 5.2366 |
| logD: | 5.2365 |
| logSw: | -4.9457 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.369 |
| InChI Key: | KPGXVETXBJTSKB-UHFFFAOYSA-N |