2-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbonyl}-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Chemical Structure Depiction of
2-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbonyl}-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
2-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbonyl}-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Compound characteristics
| Compound ID: | E213-0583 |
| Compound Name: | 2-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbonyl}-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C26 H32 N4 O2 S |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(c2c(C)c3C(N4CCCCCC4=Nc3s2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5982 |
| logD: | 4.5052 |
| logSw: | -4.3784 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.551 |
| InChI Key: | GDRRJOXFCBJFPQ-UHFFFAOYSA-N |