N-{[5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylbenzamide
Chemical Structure Depiction of
N-{[5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylbenzamide
N-{[5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylbenzamide
Compound characteristics
| Compound ID: | L871-0413 |
| Compound Name: | N-{[5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylbenzamide |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C29 H28 N4 O5 S |
| Smiles: | Cn1c2CCN(Cc2c(CN(C(c2ccccc2)=O)c2ccccc2)n1)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7549 |
| logD: | 2.7549 |
| logSw: | -3.3507 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.299 |
| InChI Key: | XUMSSOZVWVSVPT-UHFFFAOYSA-N |