ethyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylate
ethyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | Y504-5455 |
| Compound Name: | ethyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 391.53 |
| Molecular Formula: | C17 H17 N3 O2 S3 |
| Smiles: | CCOC(c1c(CSc2nc3ccccc3s2)nc(NCC=C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1634 |
| logD: | 5.1634 |
| logSw: | -5.0007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.462 |
| InChI Key: | SCAABDSONVIKBR-UHFFFAOYSA-N |