Tetramethyl 6'-(4-fluorobenzoyl)-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
기본 정보
- CAS
305383-83-9- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccc(OC)cc2N(C(=O)c2ccc(F)cc2)C1(C)C- InChIKey
GQYHMLGDNJJFLH-UHFFFAOYSA-N- 분자식
- C32H28FNO10S3
- 평균 분자량
- 701.8 g/mol
이름 및 식별자
- 우선 이름
- Tetramethyl 6'-(4-fluorobenzoyl)-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
- IUPAC
- tetramethyl 6'-(4-fluorobenzoyl)-8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
- 영어명
- dimethyl 6'-(4-fluorobenzoyl)-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro(1,3-dithiole-2,1'-[1'H]-thiopyrano[2,3-c]quinoline)-2',3',4,5-tetracarboxylate
- 분자식
- C32H28FNO10S3
- 분자량
- 701.76
이름 및 동의어
tetramethyl 6'-(4-fluorobenzoyl)-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateSTK059151AKOS005387071tetramethyl 6'-(4-fluorobenzoyl)-8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateAG-690/36007021dimethyl 6'-(4-fluorobenzoyl)-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro(1,3-dithiole-2,1'-[1'H]-thiopyrano[2,3-c]quinoline)-2',3',4,5-tetracarboxylatetetramethyl 6'-(4-fluorobenzoyl)-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylatetetramethyl 6'-[(4-fluorophenyl)carbonyl]-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateSpiro[1,3-dithiole-2,1'-[1H]thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid, 6'-(4-fluorobenzoyl)-5',6'-dihydro-8'-methoxy-5',5'-dimethyl-, tetramethyl ester (9CI)
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 211 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,440
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