10-[(4-ethoxyphenyl)methyl]-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-[(4-ethoxyphenyl)methyl]-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-[(4-ethoxyphenyl)methyl]-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0808 |
| Compound Name: | 10-[(4-ethoxyphenyl)methyl]-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C27 H26 N2 O3 S |
| Smiles: | CCOc1ccc(CN2C(c3ccccc3Sc3ccc(cc23)C(N2CCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.257 |
| logD: | 5.257 |
| logSw: | -4.9399 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.539 |
| InChI Key: | IUZIYMWAOCRDKQ-UHFFFAOYSA-N |