2-[3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V007-1494 |
| Compound Name: | 2-[3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 621.16 |
| Molecular Formula: | C32 H33 Cl N4 O5 S |
| Smiles: | CCCNC(CN1C(CSC(c2ccc(c(c2)OC)OC)c2c(c3ccc(cc3)[Cl])nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5506 |
| logD: | 5.5506 |
| logSw: | -6.1251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.414 |
| InChI Key: | PGDSZLQTPNHUNQ-WJOKGBTCSA-N |