10-[(4-chlorophenyl)methyl]-N-[3-(diethylamino)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-[3-(diethylamino)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-[3-(diethylamino)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0583 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-[3-(diethylamino)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 524.08 |
| Molecular Formula: | C28 H30 Cl N3 O3 S |
| Smiles: | CCN(CC)CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0392 |
| logD: | 1.3182 |
| logSw: | -4.3518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.722 |
| InChI Key: | XVEBXEJJQMIZAQ-UHFFFAOYSA-N |