N-(2-methoxy-5-nitrophenyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(2-methoxy-5-nitrophenyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E213-0070 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 382.4 |
| Molecular Formula: | C18 H14 N4 O4 S |
| Smiles: | COc1ccc(cc1NC(c1c2CSc3ccccc3c2[nH]n1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3981 |
| logD: | 3.1621 |
| logSw: | -4.0101 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.686 |
| InChI Key: | AZJAEFYASZGJDT-UHFFFAOYSA-N |