7-(5-bromofuran-2-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(5-bromofuran-2-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(5-bromofuran-2-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1546 |
| Compound Name: | 7-(5-bromofuran-2-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 381.23 |
| Molecular Formula: | C15 H17 Br N4 O3 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)C(c1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0621 |
| logD: | 2.0612 |
| logSw: | -2.1515 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.421 |
| InChI Key: | ONDAUUNHYIKTLW-UHFFFAOYSA-N |