8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(4-ethoxyphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(4-ethoxyphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(4-ethoxyphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0809 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(4-ethoxyphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C32 H28 N2 O3 S |
| Smiles: | CCOc1ccc(CN2C(c3ccccc3Sc3ccc(cc23)C(N2CCc3ccccc3C2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4136 |
| logD: | 6.4136 |
| logSw: | -5.5712 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.834 |
| InChI Key: | UYSOFMRIWSLPBW-UHFFFAOYSA-N |