(2S)-methyl 2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(4-(1-methyl-1H-indazol-5-yl)-2-oxopyrrolidin-1-yl)benzo[d]thiazol-6-yl)acetate

HCID 86699849

기본 정보

표준 SMILES
COC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N3CC(c4ccc5c(cnn5C)c4)CC3=O)sc2c1-c1ccc(Cl)cc1
InChIKey
SUJAKXWLPNZLLK-JKDDQTOVSA-N
분자식
C33H33ClN4O4S
평균 분자량
617.2 g/mol

이름 및 식별자

우선 이름
(2S)-methyl 2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(4-(1-methyl-1H-indazol-5-yl)-2-oxopyrrolidin-1-yl)benzo[d]thiazol-6-yl)acetate
IUPAC
methyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[4-(1-methylindazol-5-yl)-2-oxopyrrolidin-1-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

이름 및 동의어

SCHEMBL15333423SUJAKXWLPNZLLK-JKDDQTOVSA-N(2S)-methyl 2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(4-(1-methyl-1H-indazol-5-yl)-2-oxopyrrolidin-1-yl)benzo[d]thiazol-6-yl)acetate

데이터베이스 식별자

PubChem CID
86699849

물성

구조 계산 물성

XLogP
6.6
극성 표면적
115 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
43

관련 반응

4건

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