N-[2-(dimethylamino)ethyl]-2-[1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-2-[1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-[2-(dimethylamino)ethyl]-2-[1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V020-3121 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-2-[1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 569.73 |
| Molecular Formula: | C32 H35 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C1c2c(c3ccccc3)nn(c3ccc(cc3)OC)c2N(CC(NCCN(C)C)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8363 |
| logD: | 3.5016 |
| logSw: | -4.5582 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.019 |
| InChI Key: | GOMYWMBFVDCQHQ-WJOKGBTCSA-N |