2-(2-methylpropyl)-7-(5,6,7,8-tetrahydronaphthalene-2-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-(2-methylpropyl)-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(2-methylpropyl)-7-(5,6,7,8-tetrahydronaphthalene-2-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: | CM4193-3746 |
| Compound Name: | 2-(2-methylpropyl)-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)S(c1ccc2CCCCc2c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9146 |
| logD: | 3.9143 |
| logSw: | -3.8401 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.227 |
| InChI Key: | BLQAAYQHGKLXAX-UHFFFAOYSA-N |