2-(cyclopropylmethyl)-7-(pyridine-3-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-(pyridine-3-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(pyridine-3-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: | S636-1946 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(pyridine-3-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C15 H19 N5 O3 S |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)S(c1cccnc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0574 |
| logD: | 1.0525 |
| logSw: | -1.6155 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.076 |
| InChI Key: | DOBBVEBOVOTVHQ-UHFFFAOYSA-N |