1-[4-(4-methoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-methoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
1-[4-(4-methoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SD54-0300 |
| Compound Name: | 1-[4-(4-methoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carbonyl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C24 H30 N4 O3 |
| Smiles: | CC(N1CCCN(CC1)C(C1CCc2c(CC1)nc(c1ccccc1)nc2OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5706 |
| logD: | 3.5706 |
| logSw: | -3.4649 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.767 |
| InChI Key: | KHBLNBORXYWFEC-IBGZPJMESA-N |