rel-(4aR,8aR)-1-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0908 |
| Compound Name: | rel-(4aR,8aR)-1-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 412.59 |
| Molecular Formula: | C20 H36 N4 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2C1CC1)(=O)=O)C(NCCCN1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5824 |
| logD: | -0.6221 |
| logSw: | -1.7226 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.38 |
| InChI Key: | PTVPYCSIEVAZSS-ICSRJNTNSA-N |