10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | K786-6680 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 514.64 |
| Molecular Formula: | C30 H30 N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(N2CCC3(CC2)OCCO3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2839 |
| logD: | 5.2839 |
| logSw: | -5.082 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.486 |
| InChI Key: | ILBXAGGHXHEGKC-UHFFFAOYSA-N |