(2H-1,3-benzodioxol-5-yl){4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1155 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 469.34 |
| Molecular Formula: | C22 H21 Br N4 O3 |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccc(cc2)[Br])n[nH]1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3157 |
| logD: | 4.3157 |
| logSw: | -4.2835 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.547 |
| InChI Key: | QRCHDFXLQULVHD-UHFFFAOYSA-N |