2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V030-7820 |
| Compound Name: | 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide |
| Molecular Weight: | 566.14 |
| Molecular Formula: | C28 H28 Cl N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccsc3)SCC(N(CC(NCc3ccncc3)=O)c2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0787 |
| logD: | 5.0754 |
| logSw: | -5.2866 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.214 |
| InChI Key: | BTHPICICAQYKCZ-VWLOTQADSA-N |