2-(cyclopropylmethyl)-7-(2-fluorobenzene-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-(2-fluorobenzene-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-(2-fluorobenzene-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: | S636-1935 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(2-fluorobenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C16 H19 F N4 O3 S |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)S(c1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0571 |
| logD: | 2.0522 |
| logSw: | -2.2446 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.558 |
| InChI Key: | ZSGMKTAWVRRHFJ-UHFFFAOYSA-N |