5-amino-4-(1,3-benzothiazol-2-yl)-1-[(thiophen-2-yl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(thiophen-2-yl)methyl]-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(thiophen-2-yl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | F187-0120 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-[(thiophen-2-yl)methyl]-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 327.42 |
| Molecular Formula: | C16 H13 N3 O S2 |
| Smiles: | C1C(C(=C(N)N1Cc1cccs1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0624 |
| logD: | 3.0624 |
| logSw: | -3.1807 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.884 |
| InChI Key: | XIWCRDAUSYDVLS-UHFFFAOYSA-N |