2-(cyclopropylmethyl)-7-(3-methylthiophene-2-carbonyl)-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-(3-methylthiophene-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(3-methylthiophene-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1552 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(3-methylthiophene-2-carbonyl)-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: | Cc1ccsc1C(N1CCC2=NN(CC3CC3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2934 |
| logD: | 2.2924 |
| logSw: | -2.3617 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.514 |
| InChI Key: | XAJFUFPHLXLIBO-UHFFFAOYSA-N |