N-(3-methoxypropyl)-2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-(3-methoxypropyl)-2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-(3-methoxypropyl)-2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V020-3971 |
| Compound Name: | N-(3-methoxypropyl)-2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 546.71 |
| Molecular Formula: | C29 H30 N4 O3 S2 |
| Smiles: | Cc1ccccc1n1c2c(C(c3ccsc3)SCC(N2CC(NCCCOC)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7267 |
| logD: | 4.7267 |
| logSw: | -4.4183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.669 |
| InChI Key: | MWJWUTMGKWIUAF-NDEPHWFRSA-N |