N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1702 |
| Compound Name: | N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C25 H29 N5 O S |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NC(c1c2CSc3ccccc3c2n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9696 |
| logD: | 2.0379 |
| logSw: | -3.6629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.922 |
| InChI Key: | DTFMXHIEGWSETQ-UHFFFAOYSA-N |