2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-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-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-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-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-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: | V007-6270 |
| Compound Name: | 2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-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: | 574.72 |
| Molecular Formula: | C30 H30 N4 O4 S2 |
| Smiles: | COc1ccc(cc1)n1c2c(C(c3cccs3)SCC(N2CC(NCC2CCCO2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1583 |
| logD: | 4.1583 |
| logSw: | -4.1363 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.713 |
| InChI Key: | YCDWTALILPCTOX-UHFFFAOYSA-N |