N-{3-[benzyl(propan-2-yl)amino]propyl}-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1568 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | CC(C)N(CCCNC(c1c2CS(c3ccccc3c2n(C)n1)(=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6659 |
| logD: | 0.7196 |
| logSw: | -3.3528 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.939 |
| InChI Key: | IWZXFHQRQACHQV-UHFFFAOYSA-N |