N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[(pyridin-3-yl)methyl]urea
Chemical Structure Depiction of
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[(pyridin-3-yl)methyl]urea
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[(pyridin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | C791-0670 |
| Compound Name: | N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[(pyridin-3-yl)methyl]urea |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | CC1CCC2=Nc3c(C(N2CC1)=O)c(C)c(NC(NCc1cccnc1)=O)s3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0492 |
| logD: | 2.048 |
| logSw: | -2.0765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.541 |
| InChI Key: | YSSAVVVWGVVMPU-GFCCVEGCSA-N |