기본 정보
- CAS
371234-36-5- 표준 SMILES
CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC(C(C)C)OC3- InChIKey
IVMIDAYXEXKFOG-UHFFFAOYSA-N- 분자식
- C23H26N2O5S2
- 평균 분자량
- 474.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl {[6-isopropyl-3-(4-methoxyphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
- IUPAC
- ethyl 2-[[4-(4-methoxyphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
- 영어명
- ethyl {[6-isopropyl-3-(4-methoxyphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
- 분자식
- C23H26N2O5S2
- 분자량
- 474.59
이름 및 동의어
371234-36-5ethyl {[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetateethyl {[6-isopropyl-3-(4-methoxyphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetateCHEMBL1906618HMS1801J18STK283344AKOS001671756AKOS022005956NCGC00100459-01Ethyl 2-[[4-(4-methoxyphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetateEU-0048326AJ-292/41342202
이름 더 보기
Acetic acid, 2-[[3,5,6,8-tetrahydro-3-(4-methoxyphenyl)-6-(1-methylethyl)-4-oxo-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-, ethyl ester
ethyl 2-((6-isopropyl-3-(4-methoxyphenyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetateETHYL 2-{[6-ISOPROPYL-3-(4-METHOXYPHENYL)-4-OXO-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 131 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 725
물리화학적 성질
- 끓는 점
- 652.2 · 652.2±65.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.17 · -0.17±0.40(Predicted)
화학 및 산업
공급사3 곳
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