N-(4-bromophenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K412-0035 |
| Compound Name: | N-(4-bromophenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 413.31 |
| Molecular Formula: | C14 H13 Br N4 O2 S2 |
| Smiles: | C1CC(N=C2N(C1)N=C(SCC(Nc1ccc(cc1)[Br])=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8612 |
| logD: | 2.8611 |
| logSw: | -3.439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.796 |
| InChI Key: | CSQHGOGLOXFPGS-UHFFFAOYSA-N |