10-[(2,5-dimethylphenyl)methyl]-8-(4-ethylpiperazine-1-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-(4-ethylpiperazine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(2,5-dimethylphenyl)methyl]-8-(4-ethylpiperazine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1355 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-(4-ethylpiperazine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | CCN1CCN(CC1)C(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7746 |
| logD: | 3.5984 |
| logSw: | -3.8015 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.566 |
| InChI Key: | QVGHIJQMNWTANH-UHFFFAOYSA-N |