N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[4-(propan-2-yl)phenyl]urea
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[4-(propan-2-yl)phenyl]urea
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | E006-0638 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C30 H27 N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(Nc1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2267 |
| logD: | 8.2267 |
| logSw: | -5.6556 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.704 |
| InChI Key: | IPWTWVSHFHWEQV-UHFFFAOYSA-N |