2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-(4-chlorophenyl)-1-(4-methoxyphenyl)-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: | V027-4420 |
| Compound Name: | 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-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: | 616.16 |
| Molecular Formula: | C31 H26 Cl N5 O3 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c2c(C(c3ccsc3)SCC(N2CC(NCc2ccncc2)=O)=O)c(c2ccc(cc2)[Cl])n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1341 |
| logD: | 5.1307 |
| logSw: | -5.7667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.487 |
| InChI Key: | VYKLWSVRCMDNOE-PMERELPUSA-N |