2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-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-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | V025-8558 |
| Compound Name: | 2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 601.57 |
| Molecular Formula: | C28 H26 Cl2 N4 O3 S2 |
| Smiles: | COCCCNC(CN1C(CSC(c2cccc(c2)[Cl])c2c(c3cccs3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7461 |
| logD: | 5.7461 |
| logSw: | -5.9009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.669 |
| InChI Key: | MAYSQMCVUFILPR-HHHXNRCGSA-N |