3-(2-{[3-(2-hydroxyethyl)-5-methyl-1,3-thiazol-2(3H)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(2-{[3-(2-hydroxyethyl)-5-methyl-1,3-thiazol-2(3H)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
3-(2-{[3-(2-hydroxyethyl)-5-methyl-1,3-thiazol-2(3H)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 7527-0445 |
| Compound Name: | 3-(2-{[3-(2-hydroxyethyl)-5-methyl-1,3-thiazol-2(3H)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C21 H22 N2 O4 S3 |
| Smiles: | CC1=CN(CCO)/C(=C/c2[n+](CCCS([O-])(=O)=O)c3c4ccccc4ccc3s2)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.3781 |
| logD: | 2.3781 |
| logSw: | -2.8295 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63 |
| InChI Key: | JXHWHFCRPLYZAT-UHFFFAOYSA-N |