7-[(5-bromothiophen-2-yl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-[(5-bromothiophen-2-yl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(5-bromothiophen-2-yl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0840 |
| Compound Name: | 7-[(5-bromothiophen-2-yl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 343.24 |
| Molecular Formula: | C12 H15 Br N4 O S |
| Smiles: | CN1C(N2CCN(CCC2=N1)Cc1ccc(s1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1578 |
| logD: | 1.5989 |
| logSw: | -2.3298 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.025 |
| InChI Key: | HRRJHMLRCHEAIF-UHFFFAOYSA-N |