N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0963 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | CC(C)c1c(c(C(Nc2c(C#N)c3CCCCc3s2)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7291 |
| logD: | -0.3816 |
| logSw: | -4.2886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.691 |
| InChI Key: | ITCSRNZOPQDSIG-UHFFFAOYSA-N |