N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(3-methoxyphenyl)urea
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(3-methoxyphenyl)urea
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(3-methoxyphenyl)urea
Compound characteristics
| Compound ID: | E006-0588 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(3-methoxyphenyl)urea |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C28 H23 N3 O3 S |
| Smiles: | COc1cccc(c1)NC(Nc1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9549 |
| logD: | 6.9549 |
| logSw: | -5.6801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.247 |
| InChI Key: | IBXPQPJEYIHXSC-UHFFFAOYSA-N |