N-(cyclopropylmethyl)-3-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-3-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-(cyclopropylmethyl)-3-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-2013 |
| Compound Name: | N-(cyclopropylmethyl)-3-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | Cc1c(C(N2CCOc3ccc(CCC(NCC4CC4)=O)cc3C2)=O)sc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9931 |
| logD: | 2.9931 |
| logSw: | -3.2886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.943 |
| InChI Key: | UXLMCKKGESLMLF-UHFFFAOYSA-N |