5-amino-4-(1,3-benzothiazol-2-yl)-1-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | D086-0287 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 271.34 |
| Molecular Formula: | C14 H13 N3 O S |
| Smiles: | C=CCN1CC(C(=C1N)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2798 |
| logD: | 2.2798 |
| logSw: | -2.6003 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.115 |
| InChI Key: | LLSCSGKMQIUQJO-UHFFFAOYSA-N |