2-[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-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-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
2-[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-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: | V001-0858 |
| Compound Name: | 2-[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 623.71 |
| Molecular Formula: | C34 H30 F N5 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)C1c2c(c3ccccc3)nn(c3ccc(cc3)F)c2N(CC(NCc2cccnc2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6028 |
| logD: | 4.6004 |
| logSw: | -4.2098 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.275 |
| InChI Key: | AJZBFGUGGILJID-MGBGTMOVSA-N |