2-(cyclopropylmethyl)-7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | CM4193-2688 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C17 H21 F N4 O4 S |
| Smiles: | COc1ccc(cc1S(N1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.0517 |
| logD: | 2.0468 |
| logSw: | -2.5627 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.188 |
| InChI Key: | DWTFSHNNTZNLJN-UHFFFAOYSA-N |