N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
Compound characteristics
| Compound ID: | 6049-1169 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C27 H26 N2 O2 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(C3c4ccccc4Oc4ccccc34)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4551 |
| logD: | -0.0154 |
| logSw: | -5.7813 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.914 |
| InChI Key: | HGVVCJMXERAYRS-MRXNPFEDSA-N |