ethyl 4-[{2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[{2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-[{2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-0494 |
| Compound Name: | ethyl 4-[{2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 484.98 |
| Molecular Formula: | C19 H21 Cl N4 O5 S2 |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N(C)CC(Nc1nc2ccc(cc2s1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5554 |
| logD: | 3.5519 |
| logSw: | -4.4843 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.255 |
| InChI Key: | VTUBDVLBVCSBQP-UHFFFAOYSA-N |