ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-thiophen-3-yl-4H-pyran-3-carboxylate
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기본 정보
- CAS
445384-12-3- 표준 SMILES
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)C1c1ccsc1- InChIKey
NWDDJXJEFOGXNC-UHFFFAOYSA-N- 분자식
- C25H24N4O3S2
- 평균 분자량
- 492.6 g/mol
- 단동위원소 질량
- 492.12898299
이름 및 식별자
- 우선 이름
- ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-thiophen-3-yl-4H-pyran-3-carboxylate
- IUPAC
- ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-thiophen-3-yl-4H-pyran-3-carboxylate
- 영어명
- ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3-thienyl)-4H-pyran-3-carboxylate
- 분자식
- C25H24N4O3S2
- 분자량
- 492.61306
이름 및 동의어
445384-12-3Ethyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylateethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-thiophen-3-yl-4H-pyran-3-carboxylateethyl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(thiophen-3-yl)-4H-pyran-3-carboxylateethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3-thienyl)-4H-pyran-3-carboxylateethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3-thienyl)-4H-pyrAM-807/14957065STK547226AKOS003598274AKOS016340352SS-0547CS-0332181
이름 더 보기
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(thiophen-3-yl)-4H-pyran-3-carboxylateethyl6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(thiophen-3-yl)-4H-pyran-3-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 4.6
- 극성 표면적
- 176 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 946
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