5-amino-4-(1,3-benzothiazol-2-yl)-1-hexyl-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-hexyl-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-hexyl-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | D086-0288 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-hexyl-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 315.44 |
| Molecular Formula: | C17 H21 N3 O S |
| Smiles: | CCCCCCN1CC(C(=C1N)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.233 |
| logD: | 4.233 |
| logSw: | -4.3332 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.115 |
| InChI Key: | AVDUDHZBABOQAS-UHFFFAOYSA-N |