2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V015-7411 |
| Compound Name: | 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 566.14 |
| Molecular Formula: | C28 H28 Cl N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3cccs3)SCC(N(CC(NCc3cccnc3)=O)c2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1195 |
| logD: | 5.1171 |
| logSw: | -5.4118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.304 |
| InChI Key: | SSSQHUBYXPFWCG-VWLOTQADSA-N |