4-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-nitrobenzamide
4-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3366-5383 |
| Compound Name: | 4-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C18 H16 Cl N3 O3 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.8841 |
| logD: | 0.2019 |
| logSw: | -5.2721 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.512 |
| InChI Key: | MJOMMGMXASLJSM-UHFFFAOYSA-N |