(2,4-dimethyl-1,3-thiazol-5-yl)[1'-(propan-2-yl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]methanone
Chemical Structure Depiction of
(2,4-dimethyl-1,3-thiazol-5-yl)[1'-(propan-2-yl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]methanone
(2,4-dimethyl-1,3-thiazol-5-yl)[1'-(propan-2-yl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]methanone
Compound characteristics
| Compound ID: | S530-0221 |
| Compound Name: | (2,4-dimethyl-1,3-thiazol-5-yl)[1'-(propan-2-yl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]methanone |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C22 H29 N3 O2 S |
| Smiles: | CC(C)N1CCC2(CC1)CN(Cc1ccccc1O2)C(c1c(C)nc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8394 |
| logD: | 1.0435 |
| logSw: | -4.0637 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.881 |
| InChI Key: | CCUSMIHMSSKXMG-UHFFFAOYSA-N |