4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl 1-(naphthalen-2-yl)-5-oxopyrrolidine-3-carboxylate
Chemical Structure Depiction of
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl 1-(naphthalen-2-yl)-5-oxopyrrolidine-3-carboxylate
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl 1-(naphthalen-2-yl)-5-oxopyrrolidine-3-carboxylate
Compound characteristics
| Compound ID: | 8010-6285 |
| Compound Name: | 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl 1-(naphthalen-2-yl)-5-oxopyrrolidine-3-carboxylate |
| Molecular Weight: | 567.66 |
| Molecular Formula: | C32 H29 N3 O5 S |
| Smiles: | CC(C)c1cc(c(C)cc1OC(C1CC(N(C1)c1ccc2ccccc2c1)=O)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0812 |
| logD: | 5.0708 |
| logSw: | -5.47 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.089 |
| InChI Key: | BAJWSSNHBLRQFG-QHCPKHFHSA-N |