N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)furan-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)furan-2-carboxamide
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D336-2705 |
| Compound Name: | N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)furan-2-carboxamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C22 H19 N3 O3 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc2ccc(cc2s1)NC(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8947 |
| logD: | 4.8945 |
| logSw: | -4.5592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.169 |
| InChI Key: | XELWYETYTKMJMY-UHFFFAOYSA-N |