1-ethyl-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-1H-pyrazole-3-carboxamide
1-ethyl-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G943-0914 |
| Compound Name: | 1-ethyl-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCn1ccc(C(Nc2ccc3c(c2)Sc2ccccc2C(N3C(C)C)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9692 |
| logD: | 3.9692 |
| logSw: | -4.1036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.869 |
| InChI Key: | ZKFXQSHJXHMUBH-UHFFFAOYSA-N |