主记录
CS-B1613
- CAS
- 1893415-77-4
- PubChem CID
- 121244766
- SMILES
- CCOC(=O)C1=C(N2[C@@H](CC1)OC[C@H]2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
- 分子式
- C22H22N2O5
- 分子量
- 394.427
- 精确分子量
- 394.1529
- InChI
- InChI=1S/C22H22N2O5/c1-2-28-22(25)18-12-13-20-23(19(14-29-20)15-6-4-3-5-7-15)21(18)16-8-10-17(11-9-16)24(26)27/h3-11,19-20H,2,12-14H2,1H3/t19-,20+/m0/s1
- InChIKey
- CYLODZLCJGCQDY-VQTJNVASSA-N
- LogP
- 4.0624
- TPSA
- 81.91
名称与别名
- SCHEMBL17640292
- CS-B1613
- D77302
- Ethyl (3R,8aR)-5-(4-nitrophenyl)-3-phenyl-2,3,8,8a-tetrahydro-7H-oxazolo[3,2-a]pyridine-6-carboxylate
- 1893415-77-4