Name: H7
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217585082
Cas No:2803681-14-1
常用名:H7
IUPAC:2-(trimethylsilyl)ethyl 3-(4-{[4-(23-{4-[(4-{3-oxo-3-[2-(trimethylsilyl)ethoxy]propyl}phenyl)(phenyl)amino]phenyl}-20lambda4-thia-6,9,15,19,21,25-hexaazahexacyclo[12.11.0.0^{2,7}.0^{8,13}.0^{16,24}.0^{18,22}]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,20,22,24-tridecaen-17-yl)phenyl](phenyl)amino}phenyl)propanoate
IUPAC:2-(trimethylsilyl)ethyl 3-(4-{[4-(23-{4-[(4-{3-oxo-3-[2-(trimethylsilyl)ethoxy]propyl}phenyl)(phenyl)amino]phenyl}-20lambda4-thia-6,9,15,19,21,25-hexaazahexacyclo[12.11.0.0^{2,7}.0^{8,13}.0^{16,24}.0^{18,22}]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,20,22,24-tridecaen-17-yl)phenyl](phenyl)amino}phenyl)propanoate
InChI key:CLRSAMOFSQVSNC-UHFFFAOYSA-N

分子式:C70H66N8O4SSi2
分子量:1171.58
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[Si](C)(C)CCOC(=O)CCc1ccc(cc1)N(c1ccccc1)c1ccc(cc1)-c1c2N=S=Nc2c(-c2ccc(cc2)N(c2ccccc2)c2ccc(CCC(=O)OCC[Si](C)(C)C)cc2)c2nc3c4cccnc4c4ncccc4c3nc12
SMILES:C[Si](C)(C)CCOC(=O)CCc1ccc(cc1)N(c1ccccc1)c1ccc(cc1)-c1c2N=S=Nc2c(-c2ccc(cc2)N(c2ccccc2)c2ccc(CCC(=O)OCC[Si](C)(C)C)cc2)c2nc3c4cccnc4c4ncccc4c3nc12

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