3-{4-[8-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl]piperidine-1-carbonyl}benzoic acid
Chemical Structure Depiction of
3-{4-[8-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl]piperidine-1-carbonyl}benzoic acid
3-{4-[8-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl]piperidine-1-carbonyl}benzoic acid
Compound characteristics
| Compound ID: | S840-0025 |
| Compound Name: | 3-{4-[8-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-9-yl]piperidine-1-carbonyl}benzoic acid |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | CC(C)CN1CCCn2ccnc2C1C1CCN(CC1)C(c1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6715 |
| logD: | 2.6715 |
| logSw: | -2.6154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.281 |
| InChI Key: | WZXFOYQSZIIUCM-NRFANRHFSA-N |