4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methoxyphenyl)-4-oxobutanamide
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methoxyphenyl)-4-oxobutanamide
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methoxyphenyl)-4-oxobutanamide
Compound characteristics
| Compound ID: | D628-0149 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methoxyphenyl)-4-oxobutanamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C22 H22 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CCC(N1CCCC1c1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7597 |
| logD: | 3.7591 |
| logSw: | -4.1135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.648 |
| InChI Key: | ZBLUOJATVFEZGN-KRWDZBQOSA-N |