1,1-dimethylethyl 3-{[({3-[(3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1H-indazol-1-yl)methyl]phenyl}methyl)amino]carbonyl}-4-morpholinecarboxylate

HCID 136346360
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기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CCOCC1C(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(O)cccc32)c1
InChIKey
MCRZRPNGVCJVTL-UHFFFAOYSA-N
분자식
C29H32ClN5O7S2
평균 분자량
662.2 g/mol

이름 및 식별자

우선 이름
1,1-dimethylethyl 3-{[({3-[(3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1H-indazol-1-yl)methyl]phenyl}methyl)amino]carbonyl}-4-morpholinecarboxylate
IUPAC
tert-butyl 3-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-hydroxyindazol-1-yl]methyl]phenyl]methylcarbamoyl]morpholine-4-carboxylate

이름 및 동의어

SCHEMBL357890MCRZRPNGVCJVTL-UHFFFAOYSA-N1,1-dimethylethyl 3-{[({3-[(3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1H-indazol-1-yl)methyl]phenyl}methyl)amino]carbonyl}-4-morpholinecarboxylate

데이터베이스 식별자

PubChem CID
136346360

물성

구조 계산 물성

XLogP
4.9
극성 표면적
189 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
10
무거운 원자 수
44

관련 반응

3건
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1,1-dimethylethyl 3-{[({3-[(3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1H-indazol-1-yl)methyl]phenyl}methyl)amino]carbonyl}-4-morpholinecarboxylate (HCID 136346360)｜Huagongshe