2-[4-(3-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-(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-[4-(3-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-(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-[4-(3-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-(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: | V004-4869 |
| Compound Name: | 2-[4-(3-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-(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: | 600.16 |
| Molecular Formula: | C31 H26 Cl N5 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3cccc(c3)[Cl])SCC(N2CC(NCc2cccnc2)=O)=O)c(c2cccs2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9918 |
| logD: | 5.9893 |
| logSw: | -6.1007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.032 |
| InChI Key: | VQXYXIFMUWJWLF-SSEXGKCCSA-N |