2-{3-[(2-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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: | E213-0571 |
| Compound Name: | 2-{3-[(2-chlorophenyl)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: | 471.02 |
| Molecular Formula: | C24 H27 Cl N4 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N1CCCN(Cc2ccccc2[Cl])C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.036 |
| logD: | 4.0133 |
| logSw: | -4.4624 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.551 |
| InChI Key: | OBCOVJDVXLLSRM-UHFFFAOYSA-N |