ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
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기본 정보
- CAS
336180-73-5- 표준 SMILES
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)C1c1ccc(Cl)cc1- InChIKey
MTKAAAUEKRVCOB-UHFFFAOYSA-N- 분자식
- C27H25ClN4O3S
- 평균 분자량
- 521 g/mol
- 단동위원소 질량
- 520.1335895
이름 및 식별자
- 우선 이름
- ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
- IUPAC
- ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
- 영어명
- ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
- 분자식
- C27H25ClN4O3S
- 분자량
- 521.0304
이름 및 동의어
336180-73-5Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylateethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylateethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylateethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylateSTK747506AKOS000675563AKOS016340579SS-0925CS-0323489ST50246145
이름 더 보기
AG-205/11317094ethyl6-amino-4-(4-chlorophenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 5.5
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 987
관련 반응
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