2-(benzylsulfanyl)-3-(2-methylphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
기본 정보
- CAS
378755-47-6- 표준 SMILES
Cc1ccccc1-n1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C(C)C)OC3- InChIKey
ZNCRYZVXBWLWKD-UHFFFAOYSA-N- 분자식
- C26H26N2O2S2
- 평균 분자량
- 462.6 g/mol
이름 및 식별자
- 우선 이름
- 2-(benzylsulfanyl)-3-(2-methylphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
- IUPAC
- 5-benzylsulfanyl-4-(2-methylphenyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
- 영어명
- 2-(benzylsulfanyl)-6-isopropyl-3-(2-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
- 분자식
- C26H26N2O2S2
- 분자량
- 462.63
이름 및 동의어
2-(benzylsulfanyl)-3-(2-methylphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-oneSTK283434AKOS003593886AKOS022073578ST51039820AJ-292/413421902-(benzylsulfanyl)-6-isopropyl-3-(2-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one2-(benzylthio)-6-isopropyl-3-(o-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one5-benzylsulfanyl-4-(2-methylphenyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one6-(methylethyl)-3-(2-methylphenyl)-2-(phenylmethylthio)-3,5,6-trihydro-8H-pyri midino[5',4'-5,4]thiopheno[2,3-c]pyran-4-one4H-Pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,8-tetrahydro-6-(1-methylethyl)-3-(2-methylphenyl)-2-[(phenylmethyl)thio]-
데이터베이스 식별자
- CAS
378755-47-6
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 95.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 708
물리화학적 성질
- 끓는 점
- 648.8 · 648.8±65.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.17 · -0.17±0.40(Predicted)
관련 반응
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