methyl 3-[4-amino-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Chemical Structure Depiction of
methyl 3-[4-amino-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
methyl 3-[4-amino-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | F128-0550 |
| Compound Name: | methyl 3-[4-amino-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C16 H17 N3 O4 S2 |
| Smiles: | COC(c1cccc(c1)N1C(=C(C(N2CCOCC2)=O)SC1=S)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4448 |
| logD: | 1.4448 |
| logSw: | -2.2551 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.845 |
| InChI Key: | XCMYDCMXXHQGAE-UHFFFAOYSA-N |