5-amino-4-(1,3-benzothiazol-2-yl)-1-[(5-bromo-2-methoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(5-bromo-2-methoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(5-bromo-2-methoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | F187-0240 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-[(5-bromo-2-methoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 430.32 |
| Molecular Formula: | C19 H16 Br N3 O2 S |
| Smiles: | COc1ccc(cc1CN1CC(C(=C1N)c1nc2ccccc2s1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0173 |
| logD: | 4.0173 |
| logSw: | -4.4399 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.496 |
| InChI Key: | WOBGJHFLPWIMHP-UHFFFAOYSA-N |