N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(3,8-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-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(3,8-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: | C791-0689 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea |
| Molecular Weight: | 414.57 |
| Molecular Formula: | C22 H30 N4 O2 S |
| Smiles: | CC1CCC2=Nc3c(C(N2CC1)=O)c(C)c(NC(NCCC1CCCCC=1)=O)s3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8229 |
| logD: | 3.8223 |
| logSw: | -3.946 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.057 |
| InChI Key: | YVDWUDICYLQIBN-CQSZACIVSA-N |