2-chloro-11-methyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-11-methyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-11-methyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1354 |
| Compound Name: | 2-chloro-11-methyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 402.94 |
| Molecular Formula: | C21 H23 Cl N2 O2 S |
| Smiles: | CC(C)OCCCNC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6612 |
| logD: | 4.6612 |
| logSw: | -4.6903 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.228 |
| InChI Key: | ZJIZAGRVVJQEBJ-UHFFFAOYSA-N |