N-{4-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamamido]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamamido]phenyl}acetamide
N-{4-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamamido]phenyl}acetamide
Compound characteristics
| Compound ID: | C791-0574 |
| Compound Name: | N-{4-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamamido]phenyl}acetamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | CC1CCC2=Nc3c(C(N2CC1)=O)c(C)c(NC(Nc1ccc(cc1)NC(C)=O)=O)s3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2616 |
| logD: | 3.261 |
| logSw: | -3.5726 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.963 |
| InChI Key: | WZYSCYAZEBEGQV-GFCCVEGCSA-N |