6-(4-chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one

HCID 16718619

기본 정보

표준 SMILES
COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC(C)(C)O
InChIKey
GRPZZKMUWKOODM-UHFFFAOYSA-N
분자식
C23H21ClN2O4S
평균 분자량
456.9 g/mol

이름 및 식별자

우선 이름
6-(4-chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
IUPAC
6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one

이름 및 동의어

CHEMBL3589154SCHEMBL1531323GRPZZKMUWKOODM-UHFFFAOYSA-NBDBM500948846-(4-chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxy-phenyl)-thieno[3,2-d]pyrimidin-4(3H)-one6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d]pyrimidin4(3H)-one6-(4-chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)thieno[3,2-d]-pyrimidin-4(3H)-one6-(4-chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one

데이터베이스 식별자

PubChem CID
16718619
ChEMBL
CHEMBL3589154

물성

구조 계산 물성

XLogP
4.6
극성 표면적
99.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
31

관련 반응

5건

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