1-{2-[(adamantan-1-yl)oxy]ethyl}-5-amino-4-(1,3-benzothiazol-2-yl)-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
1-{2-[(adamantan-1-yl)oxy]ethyl}-5-amino-4-(1,3-benzothiazol-2-yl)-1,2-dihydro-3H-pyrrol-3-one
1-{2-[(adamantan-1-yl)oxy]ethyl}-5-amino-4-(1,3-benzothiazol-2-yl)-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | F187-0288 |
| Compound Name: | 1-{2-[(adamantan-1-yl)oxy]ethyl}-5-amino-4-(1,3-benzothiazol-2-yl)-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)OCCN1CC(C(=C1N)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5449 |
| logD: | 4.5449 |
| logSw: | -4.544 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.105 |
| InChI Key: | XPUGTZMUTVNQNW-UHFFFAOYSA-N |