methyl 3-[4-amino-5-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Chemical Structure Depiction of
methyl 3-[4-amino-5-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
methyl 3-[4-amino-5-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | F128-0560 |
| Compound Name: | methyl 3-[4-amino-5-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C22 H23 N3 O5 S2 |
| Smiles: | COC(c1cccc(c1)N1C(=C(C(NCCc2ccc(c(c2)OC)OC)=O)SC1=S)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4673 |
| logD: | 2.4673 |
| logSw: | -2.9592 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.804 |
| InChI Key: | VUODDSNCYPHMFV-UHFFFAOYSA-N |