8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(4-methylphenyl)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-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | K784-7397 |
| Compound Name: | 8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C29 H28 N2 O4 S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3Sc3ccc(cc23)C(N2CCC3(CC2)OCCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6613 |
| logD: | 4.6613 |
| logSw: | -4.3687 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.486 |
| InChI Key: | QQCOUVJNLUOQDP-UHFFFAOYSA-N |