N-[(2-methoxyphenyl)methyl]-3-methyl-5-[3-(methylsulfanyl)phenyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-3-methyl-5-[3-(methylsulfanyl)phenyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
N-[(2-methoxyphenyl)methyl]-3-methyl-5-[3-(methylsulfanyl)phenyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
Compound characteristics
| Compound ID: | G216-0308 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-3-methyl-5-[3-(methylsulfanyl)phenyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C29 H28 N4 O3 S2 |
| Smiles: | Cc1c2C(C(NCc3ccccc3OC)=O)N(C(CSc2n(c2ccccc2)n1)=O)c1cccc(c1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.454 |
| logD: | 4.454 |
| logSw: | -4.3999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.756 |
| InChI Key: | CFHVUQPVJQIEIB-MHZLTWQESA-N |