기본 정보
- CAS
312504-68-0- 표준 SMILES
CCOC(=O)c1c(N2C(N)=C(C#N)C(c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2- InChIKey
NDXGSENJDQJTRX-UHFFFAOYSA-N- 분자식
- C30H32FN3O3S
- 평균 분자량
- 533.7 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-(2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 분자식
- C30H32FN3O3S
- 분자량
- 533.6567832
이름 및 동의어
ethyl 2-(2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateOprea1_528827STK759179AKOS001737184AKOS022012835ethyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateAG-205/11559295SR-01000522259SR-01000522259-1ETHYL 2-[2-AMINO-3-CYANO-4-(4-FLUOROPHENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLIN-1-YL]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATEethyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
312504-68-0
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,080
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