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-[(oxolan-2-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-[(oxolan-2-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-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V027-7251 |
| 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-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 559.15 |
| Molecular Formula: | C27 H31 Cl N4 O3 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3cccs3)SCC(N(CC(NCC3CCCO3)=O)c2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8027 |
| logD: | 4.8027 |
| logSw: | -4.7401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.44 |
| InChI Key: | NMIXNJSWAFJLLP-UHFFFAOYSA-N |