2-(diethylamino)ethyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
2-(diethylamino)ethyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | D086-0253 |
| Compound Name: | 2-(diethylamino)ethyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2409 |
| logD: | 3.2725 |
| logSw: | -4.2314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.879 |
| InChI Key: | VDKFZAMDUFKYQQ-UHFFFAOYSA-N |