N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(oxolan-2-yl)methyl]urea
Chemical Structure Depiction of
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(oxolan-2-yl)methyl]urea
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(oxolan-2-yl)methyl]urea
Compound characteristics
| Compound ID: | E006-0136 |
| Compound Name: | N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(oxolan-2-yl)methyl]urea |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CN1C(c2ccccc2Sc2ccc(cc12)NC(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9918 |
| logD: | 2.9918 |
| logSw: | -3.6382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.717 |
| InChI Key: | IXACMQDZGOWUHO-CQSZACIVSA-N |