2-{3-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidine-1-carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione
Chemical Structure Depiction of
2-{3-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidine-1-carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione
2-{3-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidine-1-carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione
Compound characteristics
| Compound ID: | SD63-0094 |
| Compound Name: | 2-{3-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidine-1-carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | C1CCS(N(C1)c1cccc(c1)C(N1CCC(C1)c1c2COCCc2[nH]n1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0623 |
| logD: | 1.0623 |
| logSw: | -2.3755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.944 |
| InChI Key: | XMDQUTIFNBTLOG-MRXNPFEDSA-N |