Isopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl) phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate

HCID 19690723

기본 정보

표준 SMILES
CC(C)OC(=O)Cn1c(=O)n(C)c(=O)n(-c2cc(N3C(=O)C4CS(=O)CCN4C3=O)c(F)cc2Cl)c1=O
InChIKey
KOFXTPAGCMTDBG-UHFFFAOYSA-N
분자식
C21H21ClFN5O8S
평균 분자량
557.9 g/mol

이름 및 식별자

우선 이름
Isopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl) phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate
IUPAC
propan-2-yl 2-[3-[2-chloro-4-fluoro-5-(1,3,7-trioxo-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazin-2-yl)phenyl]-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate

이름 및 동의어

SCHEMBL8872703KOFXTPAGCMTDBG-UHFFFAOYSA-NIsopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl) phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetateIsopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl)phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H) -acetateIsopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl)phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetateIsopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo[5,1-c][1,4]thiazin-2(3H)-yl)phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate

데이터베이스 식별자

PubChem CID
19690723

물성

구조 계산 물성

XLogP
0.2
극성 표면적
164 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
6
무거운 원자 수
37

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7건

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