기본 정보
- CAS
667913-04-4- 표준 SMILES
C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCCC3- InChIKey
ANEUBQIMGDFSON-UHFFFAOYSA-N- 분자식
- C18H19N3OS3
- 평균 분자량
- 389.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[(2-Methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- IUPAC
- 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- 영어명
- 3-allyl-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- 분자식
- C18H19N3OS3
- 분자량
- 389.56
이름 및 동의어
667913-04-45-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-oneSMR000142705CBKinase1_002640CBKinase1_0150402-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-oneMLS000535268CHEMBL1421358AKOS0008121313-allyl-2-(((2-methylthiazol-4-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-oneVU0157174-3AQ-750/41791369
이름 더 보기
[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-[[(2-methyl-4-thiazolyl)methyl]thio]-3-(2-propen-1-yl)-
BRD-K10440627-001-01-2Z20216272F3394-03493-allyl-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one3-allyl-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]thio}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 570
화학 및 산업
공급사1 곳
SPECS[email protected]
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