2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | V027-4468 |
| Compound Name: | 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 597.15 |
| Molecular Formula: | C29 H29 Cl N4 O4 S2 |
| Salt: | not_available |
| Smiles: | COCCCNC(CN1C(CSC(c2ccsc2)c2c(c3ccc(cc3)[Cl])nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0241 |
| logD: | 5.0241 |
| logSw: | -5.2492 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.514 |
| InChI Key: | QPUPLFOYLWIRBR-NDEPHWFRSA-N |