(2,5-dimethylfuran-3-yl){3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Chemical Structure Depiction of
(2,5-dimethylfuran-3-yl){3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
(2,5-dimethylfuran-3-yl){3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Compound characteristics
| Compound ID: | S923-0480 |
| Compound Name: | (2,5-dimethylfuran-3-yl){3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C19 H27 N5 O4 S |
| Smiles: | Cc1cc(C(N2CCc3nnc(C4CCCCN4S(C)(=O)=O)n3CC2)=O)c(C)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6647 |
| logD: | 0.6405 |
| logSw: | -1.8898 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.412 |
| InChI Key: | YKBVLOAQMSGVPV-INIZCTEOSA-N |