1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethan-1-one
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 4802-0138 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C27 H25 N3 O S |
| Smiles: | Cc1cc2c(C)nc(nc2cc1C)SCC(N1c2ccccc2CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.991 |
| logD: | 6.991 |
| logSw: | -5.6593 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.2584 |
| InChI Key: | MPQOQPOQDUJFBQ-UHFFFAOYSA-N |