8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-{[4-(methylsulfanyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-{[4-(methylsulfanyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-{[4-(methylsulfanyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0898 |
| Compound Name: | 8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-{[4-(methylsulfanyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 532.68 |
| Molecular Formula: | C29 H28 N2 O4 S2 |
| Smiles: | CSc1ccc(CN2C(c3ccccc3Sc3ccc(cc23)C(N2CCC3(CC2)OCCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9572 |
| logD: | 4.9572 |
| logSw: | -4.4823 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 46.486 |
| InChI Key: | GCEDRAQCZSEOGU-UHFFFAOYSA-N |