rel-(4aR,8aR)-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0871 |
| Compound Name: | rel-(4aR,8aR)-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 396.93 |
| Molecular Formula: | C19 H25 Cl N2 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2C1CC1)(=O)=O)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0683 |
| logD: | 3.0683 |
| logSw: | -3.6941 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.079 |
| InChI Key: | DEIQRQITDZHUPQ-IEBWSBKVSA-N |