[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Chemical Structure Depiction of
[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Compound characteristics
| Compound ID: | G680-0448 |
| Compound Name: | [4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone |
| Molecular Weight: | 421.58 |
| Molecular Formula: | C20 H27 N3 O3 S2 |
| Smiles: | Cc1c(c(C)n(C(c2cc3CCCCc3s2)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2465 |
| logD: | 3.2465 |
| logSw: | -3.3361 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.833 |
| InChI Key: | OQHLRXFRRZWCPN-UHFFFAOYSA-N |