N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-2953 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C16 H19 N5 O4 S |
| Smiles: | Cn1c(C(Nc2c(C(N)=O)c3CCCCCCc3s2)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4234 |
| logD: | -2.6593 |
| logSw: | -2.3039 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.031 |
| InChI Key: | XQIYVIBMNRAMGR-UHFFFAOYSA-N |