2-chloro-N-(2,2-dimethoxyethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-N-(2,2-dimethoxyethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-N-(2,2-dimethoxyethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0737 |
| Compound Name: | 2-chloro-N-(2,2-dimethoxyethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 404.91 |
| Molecular Formula: | C20 H21 Cl N2 O3 S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCC(OC)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8947 |
| logD: | 3.8945 |
| logSw: | -4.3294 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.41 |
| InChI Key: | OODKQFMLTGCYKX-UHFFFAOYSA-N |