(5-methylthiophen-2-yl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(5-methylthiophen-2-yl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone
(5-methylthiophen-2-yl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | P803-0924 |
| Compound Name: | (5-methylthiophen-2-yl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C20 H22 N4 O S |
| Smiles: | Cc1ccc(C(N2CCCN(CC2)c2cc(c3ccccc3)n[nH]2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3106 |
| logD: | 4.3106 |
| logSw: | -4.1557 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.45 |
| InChI Key: | BABXBMUYDAPCEF-UHFFFAOYSA-N |