2-(cyclopropylmethyl)-7-[(thiophen-3-yl)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
2-(cyclopropylmethyl)-7-[(thiophen-3-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(thiophen-3-yl)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: | S636-1587 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(thiophen-3-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)C(Cc1ccsc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8219 |
| logD: | 1.8209 |
| logSw: | -2.1309 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.986 |
| InChI Key: | AWHGFJHMTNGNFY-UHFFFAOYSA-N |