3-(2-{[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(2-{[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
3-(2-{[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 0841-0002 |
| Compound Name: | 3-(2-{[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate |
| Molecular Weight: | 712.37 |
| Molecular Formula: | C25 H22 Cl N2 O6 S4 |
| Salt: | (C2H5)3NH+ |
| Smiles: | C(CN1/C(=C/c2[n+](CCCS([O-])(=O)=O)c3c4ccccc4ccc3s2)Sc2ccc(cc12)[Cl])CS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.723 |
| logD: | 2.723 |
| logSw: | -3.4245 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.273 |
| InChI Key: | NDNIDDRDSSLLQB-UHFFFAOYSA-M |