2-[4-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
2-[4-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Compound characteristics
| Compound ID: | V015-7427 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide |
| Molecular Weight: | 556.62 |
| Molecular Formula: | C30 H25 F N4 O4 S |
| Smiles: | C1CC1NC(CN1C(CSC(c2ccc3c(c2)OCO3)c2c(c3ccccc3)nn(c3ccc(cc3)F)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0214 |
| logD: | 5.0214 |
| logSw: | -4.9114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.668 |
| InChI Key: | HZXHHWZCLIXMRR-GDLZYMKVSA-N |