2-phenyl-7-(2,3,5,6-tetramethylbenzene-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-phenyl-7-(2,3,5,6-tetramethylbenzene-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-phenyl-7-(2,3,5,6-tetramethylbenzene-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | CM2409-3961 |
| Compound Name: | 2-phenyl-7-(2,3,5,6-tetramethylbenzene-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | Cc1cc(C)c(C)c(c1C)S(N1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2728 |
| logD: | 3.9164 |
| logSw: | -4.1702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.712 |
| InChI Key: | PCYUMGZIGDDTOI-UHFFFAOYSA-N |