rel-(9aR,13aS)-12-(benzenesulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-12-(benzenesulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-(benzenesulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0242 |
| Compound Name: | rel-(9aR,13aS)-12-(benzenesulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 456.61 |
| Molecular Formula: | C24 H32 N4 O3 S |
| Smiles: | C1CCCN(Cc2ccncc2)[C@@H]2CN(CC[C@H]2C(NCC1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7987 |
| logD: | 1.7742 |
| logSw: | -2.6276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.638 |
| InChI Key: | HQKXCVASFSGBDV-PKTZIBPZSA-N |