2-(cyclopropylmethyl)-7-(phenylmethanesulfonyl)-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-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1931 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C17 H22 N4 O3 S |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7948 |
| logD: | 1.79 |
| logSw: | -2.178 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.452 |
| InChI Key: | ORRPSDODAJFVRQ-UHFFFAOYSA-N |