(2,4-dimethyl-1,3-thiazol-5-yl){3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-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
(2,4-dimethyl-1,3-thiazol-5-yl){3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
(2,4-dimethyl-1,3-thiazol-5-yl){3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-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: | T956-0073 |
| Compound Name: | (2,4-dimethyl-1,3-thiazol-5-yl){3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C19 H28 N6 O2 S |
| Smiles: | CC(C)N1C[C@@H](C[C@H]1c1nnc2CCN(CCn12)C(c1c(C)nc(C)s1)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.8382 |
| logD: | 0.324 |
| logSw: | -1.3571 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.879 |
| InChI Key: | NYUUEHXNAKTBRD-CABCVRRESA-N |