N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(thiophen-2-yl)ethyl]urea
Chemical Structure Depiction of
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(thiophen-2-yl)ethyl]urea
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(thiophen-2-yl)ethyl]urea
Compound characteristics
| Compound ID: | E006-0247 |
| Compound Name: | N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(thiophen-2-yl)ethyl]urea |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C21 H19 N3 O2 S2 |
| Smiles: | CN1C(c2ccccc2Sc2ccc(cc12)NC(NCCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2831 |
| logD: | 4.2831 |
| logSw: | -4.2602 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.923 |
| InChI Key: | MYQKBIFDMOVXQG-UHFFFAOYSA-N |