N-(3-methoxypropyl)-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(3-methoxypropyl)-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(3-methoxypropyl)-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0087 |
| Compound Name: | N-(3-methoxypropyl)-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C26 H26 N2 O4 S |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2S(c2ccc(cc12)C(NCCCOC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4161 |
| logD: | 3.4161 |
| logSw: | -3.8668 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.653 |
| InChI Key: | HKYFDCXUUWFRHX-UHFFFAOYSA-N |