N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1131 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 361.83 |
| Molecular Formula: | C18 H20 Cl N3 O3 |
| Smiles: | CC1NC(C2CCC(CCC=2N=1)C(Nc1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0086 |
| logD: | 2.0066 |
| logSw: | -2.9369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.858 |
| InChI Key: | XYBPAJKUUIHASY-NSHDSACASA-N |