기본 정보
- CAS
381205-68-1- 표준 SMILES
Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2C)CC(C(C)C)OC4)cc1- InChIKey
VTADELKASPLQCA-UHFFFAOYSA-N- 분자식
- C28H29N3O3S2
- 평균 분자량
- 519.7 g/mol
이름 및 식별자
- 우선 이름
- 2-{[6-isopropyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
- IUPAC
- N-(4-methylphenyl)-2-[[4-(2-methylphenyl)-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]acetamide
- 영어명
- 2-{[6-isopropyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
- 분자식
- C28H29N3O3S2
- 분자량
- 519.68
이름 및 동의어
2-{[6-isopropyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamideN-(4-methylphenyl)-2-{[3-(2-methylphenyl)-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}acetamideAL-281/41043136STK283444AKOS003593980AKOS0220626742-((6-isopropyl-4-oxo-3-(o-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide2-{[6-ISOPROPYL-3-(2-METHYLPHENYL)-4-OXO-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}-N~1~-(4-METHYLPHENYL)ACETAMIDEN-(4-methylphenyl)-2-[[4-(2-methylphenyl)-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]acetamideAcetamide, N-(4-methylphenyl)-2-[[3,5,6,8-tetrahydro-6-(1-methylethyl)-3-(2-methylphenyl)-4-oxo-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 844
물리화학적 성질
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.16 · 13.16±0.70(Predicted)
화학 및 산업
공급사3 곳
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