기본 정보
- CAS
1164538-08-2- 표준 SMILES
CCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S- InChIKey
UMAOLLLRFPHFBM-LGMDPLHJSA-N- 분자식
- C22H28N4O3S2
- 평균 분자량
- 460.6 g/mol
이름 및 식별자
- 우선 이름
- (5Z)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
- 영어명
- 9-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
- 분자식
- C22H28N4O3S2
- 분자량
- 460.61
이름 및 동의어
SMR000147996MLS000556879(5Z)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one1164538-08-2(Z)-5-((2-((3-isopropoxypropyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one2-(3-Isopropoxy-propylamino)-9-methyl-3-[4-oxo-3-propyl-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-pyrid o[1,2-a]pyrimidin-4-oneCHEMBL1610433BDBM83506cid_1880983HMS2389C08STK706670AKOS005180718
이름 더 보기
4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-2-[[3-(1-methylethoxy)propyl]amino]-3-[(Z)-(4-oxo-3-propyl-2-thioxo-5-thiazolidinylidene)methyl]-
9-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one(5Z)-5-[[2-(3-isopropoxypropylamino)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-propyl-2-thioxo-thiazolidin-4-one(5Z)-5-[[9-methyl-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one(5Z)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)-3-pyrido[1,2-a]pyrimidinyl]methylidene]-3-propyl-2-sulfanylidene-4-thiazolidinone
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 931
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