7-{[4-(methanesulfonyl)phenyl]acetyl}-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-{[4-(methanesulfonyl)phenyl]acetyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-{[4-(methanesulfonyl)phenyl]acetyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0066 |
| Compound Name: | 7-{[4-(methanesulfonyl)phenyl]acetyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C15 H18 N4 O4 S |
| Smiles: | CS(c1ccc(CC(N2CCC3=NNC(N3CC2)=O)=O)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0774 |
| logD: | -0.0838 |
| logSw: | -2.3178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.795 |
| InChI Key: | BSWPVBDELBETSS-UHFFFAOYSA-N |