N-[(3-bromophenyl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-[(3-bromophenyl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0272 |
| Compound Name: | N-[(3-bromophenyl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 468.37 |
| Molecular Formula: | C22 H18 Br N3 O2 S |
| Smiles: | CN1C(c2ccccc2Sc2ccc(cc12)NC(NCc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9015 |
| logD: | 4.9015 |
| logSw: | -4.5157 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.063 |
| InChI Key: | ZGWVQTYXKNNURX-UHFFFAOYSA-N |