(3,4-diethoxyphenyl)[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone
Chemical Structure Depiction of
(3,4-diethoxyphenyl)[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone
(3,4-diethoxyphenyl)[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone
Compound characteristics
| Compound ID: | T599-3572 |
| Compound Name: | (3,4-diethoxyphenyl)[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | CCOc1ccc(cc1OCC)C(N1CCCN(c2ccccc12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1844 |
| logD: | 2.1844 |
| logSw: | -2.7241 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.299 |
| InChI Key: | VAMHBGLDQKCNCV-UHFFFAOYSA-N |