N-[(5-bromo-2-methoxyphenyl)methyl]-N'-(3,7-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-N'-(3,7-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
N-[(5-bromo-2-methoxyphenyl)methyl]-N'-(3,7-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
Compound characteristics
| Compound ID: | C791-0658 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-N'-(3,7-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea |
| Molecular Weight: | 505.43 |
| Molecular Formula: | C22 H25 Br N4 O3 S |
| Smiles: | CC1CCCC2=Nc3c(C(N2C1)=O)c(C)c(NC(NCc1cc(ccc1OC)[Br])=O)s3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0941 |
| logD: | 4.0939 |
| logSw: | -4.4178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.587 |
| InChI Key: | CWRCVAFRINMGPW-GFCCVEGCSA-N |