기본 정보
- CAS
332043-63-7- 표준 SMILES
CCOC(=O)C1=CC2(SC=C(C(=O)OCC)S2)C2=C(S1)C(C)(C)N(C(=O)c1ccccc1)c1ccc(OCC)cc12- InChIKey
YJDJVSPXWHPDQY-UHFFFAOYSA-N- 분자식
- C31H31NO6S3
- 평균 분자량
- 609.8 g/mol
이름 및 식별자
- 우선 이름
- Diethyl 6'-benzoyl-9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
- IUPAC
- diethyl 6'-benzoyl-9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
- 영어명
- diethyl 6'-benzoyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-(1'H)-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
- 분자식
- C31H31NO6S3
- 분자량
- 609.78
이름 및 동의어
STK086091AKOS001671039AKOS016283742diethyl 6'-benzoyl-9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylateAG-690/12249222SR-01000493291SR-01000493291-13',5-DIETHYL 6'-BENZOYL-9'-ETHOXY-5',5'-DIMETHYL-5',6'-DIHYDROSPIRO[1,3-DITHIOLE-2,1'-THIOPYRANO[2,3-C]QUINOLINE]-3',5-DICARBOXYLATEdiethyl 6'-benzoyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylatediethyl 6'-benzoyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-(1'H)-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylatediethyl 6'-benzoyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylatediethyl 9'-ethoxy-5',5'-dimethyl-6'-(phenylcarbonyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
이름 더 보기
Spiro[1,3-dithiole-2,1'-[1H]thiopyrano[2,3-c]quinoline]-3',4-dicarboxylic acid, 6'-benzoyl-9'-ethoxy-5',6'-dihydro-5',5'-dimethyl-, 3',4-diethyl ester
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,160
물리화학적 성질
- 끓는 점
- 767.2 · 767.2±60.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.96 · -3.96±0.70(Predicted)
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