2-methyl-1-(3-{1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one
Chemical Structure Depiction of
2-methyl-1-(3-{1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one
2-methyl-1-(3-{1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one
Compound characteristics
| Compound ID: | CM4233-7372 |
| Compound Name: | 2-methyl-1-(3-{1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one |
| Molecular Weight: | 387.55 |
| Molecular Formula: | C20 H29 N5 O S |
| Smiles: | CC(C)C(N1CCc2nnc(C3CCCN3Cc3c(C)ccs3)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0545 |
| logD: | 1.9772 |
| logSw: | -2.3117 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.967 |
| InChI Key: | CCMMJXMVSOXBDV-INIZCTEOSA-N |