N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
Compound characteristics
| Compound ID: | Y503-0348 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide |
| Molecular Weight: | 437.39 |
| Molecular Formula: | C21 H22 Cl2 N2 O2 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(CCCOc1ccc(cc1[Cl])[Cl])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.8569 |
| logD: | 4.5438 |
| logSw: | -6.3244 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.723 |
| InChI Key: | VJJGTHMEMIXUTR-UHFFFAOYSA-N |