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기본 정보
- CAS
488827-51-6- 표준 SMILES
C=CCn1c(SCC(=O)Nc2nc(CC(=O)OCC)cs2)nc2sc3c(c2c1=O)CCC3- InChIKey
VBMQTTGTSNTYAQ-UHFFFAOYSA-N- 분자식
- C21H22N4O4S3
- 평균 분자량
- 490.6 g/mol
- 단동위원소 질량
- 490.08031872
이름 및 식별자
- 우선 이름
- Ethyl 2-{2-[2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidi no[4,5-b]thiophen-2-ylthio)acetylamino]-1,3-thiazol-4-yl}acetate
- IUPAC
- ethyl 2-[2-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
- 영어명
- ethyl 2-(2-(2-((3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiazol-4-yl)acetate
- 분자식
- C21H22N4O4S3
- 분자량
- 490.62
이름 및 동의어
488827-51-6ethyl 2-[2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamido)-1,3-thiazol-4-yl]acetateF1220-0004ethyl 2-(2-(2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiazol-4-yl)acetateethyl 2-{2-[2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidi no[4,5-b]thiophen-2-ylthio)acetylamino]-1,3-thiazol-4-yl}acetateOprea1_109429Oprea1_510639SMSSF-0064246SBB083669STK847094STL079587AKOS000529088
이름 더 보기
ethyl 2-(2-(2-((3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiazol-4-yl)acetate4-Thiazoleacetic acid, 2-[[[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-, ethyl ester (9CI)
AKOS005627423ST50277178ethyl {(2Z)-2-[({[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}acetateethyl {2-[({[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]-1,3-thiazol-4-yl}acetateethyl {2-[({11-allyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-10-ylthio}methyl)carbonylamino]-1,3-thiazol-4-yl}acetateethyl 2-[2-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
물성
구조 계산 물성보충 중
- XLogP
- 3.6
- 극성 표면적
- 183 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 795
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