ethyl 4-{2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K412-0036 |
| Compound Name: | ethyl 4-{2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C17 H18 N4 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=NN2CCCC(N=C2S1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6287 |
| logD: | 2.6286 |
| logSw: | -2.9922 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.55 |
| InChI Key: | HXLFBBXWXAZXSI-UHFFFAOYSA-N |