10-[(2,5-dimethylphenyl)methyl]-N-[2-(dipropylamino)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-[2-(dipropylamino)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-[2-(dipropylamino)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1426 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-[2-(dipropylamino)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 547.72 |
| Molecular Formula: | C31 H37 N3 O4 S |
| Smiles: | CCCN(CCC)CCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2672 |
| logD: | 4.1189 |
| logSw: | -5.0251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.826 |
| InChI Key: | NIRLKUWIZYTVTP-UHFFFAOYSA-N |