2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-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-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-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: | V021-2974 |
| Compound Name: | 2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide |
| Molecular Weight: | 578.11 |
| Molecular Formula: | C30 H29 Cl F N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3cccc(c3)F)SCC(N(CC(NCc3ccncc3)=O)c2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4952 |
| logD: | 5.4918 |
| logSw: | -5.8747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.196 |
| InChI Key: | YLAHFTFQXGXEQV-HHHXNRCGSA-N |