rel-(6R,9S)-11-(5-chlorothiophene-2-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-11-(5-chlorothiophene-2-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-11-(5-chlorothiophene-2-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0037 |
| Compound Name: | rel-(6R,9S)-11-(5-chlorothiophene-2-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 385.89 |
| Molecular Formula: | C15 H16 Cl N3 O3 S2 |
| Smiles: | CC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3S(c1ccc(s1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3402 |
| logD: | 1.3382 |
| logSw: | -2.7524 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.099 |
| InChI Key: | RDMHMDKWBKONFG-ZJUUUORDSA-N |