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-(propan-2-yl)acetamide
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-(propan-2-yl)acetamide
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-(propan-2-yl)acetamide
Compound characteristics
Compound ID: | V008-2545 |
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-(propan-2-yl)acetamide |
Molecular Weight: | 621.16 |
Molecular Formula: | C32 H33 Cl N4 O5 S |
Smiles: | CC(C)NC(CN1C(CSC(c2ccc(c(c2)OC)OC)c2c(c3ccc(cc3)[Cl])nn(c3ccc(cc3)OC)c12)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5686 |
logD: | 5.5686 |
logSw: | -6.1538 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.547 |
InChI Key: | DKHHMACFJRGEQM-WJOKGBTCSA-N |