N-[(4-chlorophenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-[(4-chlorophenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0363 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 437.95 |
| Molecular Formula: | C23 H20 Cl N3 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3977 |
| logD: | 5.3977 |
| logSw: | -5.7392 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.022 |
| InChI Key: | MLNVNKHPBXGUKK-UHFFFAOYSA-N |