2750570-55-7
中文名稱
BI-0474
英文名稱
Benzo[b]thiophene-3-carbonitrile, 2-amino-4-[3-[6-[(2S)-2,4-dimethyl-1-piperazinyl]-4-[4-(1-oxo-2-propen-1-yl)-1-piperazinyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-4-methyl-, (4S)-
CAS
2750570-55-7
分子式
C30H37N9O2S
分子量
587.74
MOL 文件
2750570-55-7.mol
更新日期
2024/12/23 10:32:38
2750570-55-7 結(jié)構(gòu)式
基本信息
中文別名
(S)-4-(3-(4-(4-ACRYLOYLPIPERAZIN-1-YL)-6-((S)-2,4-DIMETHYLPIPERAZIN-1-YL)PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL)-2-AMINO-4-METHYL-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBONITRILE 英文別名
BI-0474Benzo[b]thiophene-3-carbonitrile, 2-amino-4-[3-[6-[(2S)-2,4-dimethyl-1-piperazinyl]-4-[4-(1-oxo-2-propen-1-yl)-1-piperazinyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-4-methyl-, (4S)-
所屬類別
有機原料：雜環(huán)化合物物理化學性質(zhì)
沸點879.4±75.0 °C(Predicted)
密度1.38±0.1 g/cm3(Predicted)
酸度系數(shù)(pKa)7.13±0.70(Predicted)
形態(tài)Solid
顏色White to off-white
InChIInChI=1S/C30H37N9O2S/c1-5-25(40)38-12-10-37(11-13-38)20-15-22(33-24(16-20)39-14-9-36(4)18-19(39)2)28-34-29(41-35-28)30(3)8-6-7-23-26(30)21(17-31)27(32)42-23/h5,15-16,19H,1,6-14,18,32H2,2-4H3/t19-,30-/m0/s1
InChIKeyCKAMBYUZKWQCKJ-ADSBAMQRSA-N
SMILESC12CCC[C@@](C3ON=C(C4=NC(N5CCN(C)C[C@@H]5C)=CC(N5CCN(C(=O)C=C)CC5)=C4)N=3)(C)C=1C(C#N)=C(N)S2