N-{4-[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl}acetamide
N-{4-[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | S340-0458 |
| Compound Name: | N-{4-[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl}acetamide |
| Molecular Weight: | 457.33 |
| Molecular Formula: | C21 H21 Br N4 O3 |
| Smiles: | CC(Nc1ccc(cc1)C(N1CCC2(CC1)NC(c1ccc(cc1)[Br])=NO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4197 |
| logD: | 2.3374 |
| logSw: | -2.8005 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.602 |
| InChI Key: | CMPYCCVZGXUQBY-UHFFFAOYSA-N |