N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1599 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(c1c2CSc3ccccc3c2n(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4509 |
| logD: | 2.4509 |
| logSw: | -3.0427 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.961 |
| InChI Key: | UPBUNMKWQNCLCM-ZDUSSCGKSA-N |