10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1350 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 546.64 |
| Molecular Formula: | C30 H30 N2 O6 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCC3(CC2)OCCO3)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6744 |
| logD: | 3.6744 |
| logSw: | -3.8525 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.466 |
| InChI Key: | RXXNANCKKVRRLC-UHFFFAOYSA-N |