기본 정보
- CAS
328068-38-8- 표준 SMILES
C=C(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2- InChIKey
YGDKPWQGLYHPBF-UHFFFAOYSA-N- 분자식
- C28H27ClN2O2S
- 평균 분자량
- 491 g/mol
이름 및 식별자
- 우선 이름
- 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methyl-2-propenyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one
- IUPAC
- 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
- 영어명
- 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methyl-2-propenyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one
- 분자식
- C28H27ClN2O2S
- 분자량
- 491.04
이름 및 동의어
328068-38-82-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methyl-2-propenyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-oneOprea1_0072962-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-oneSTK805628AKOS001659277ST027272AK-968/372200342-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one2-[2-(4-chlorophenyl)-2-oxoethylthio]-3-(2-methylprop-2-enyl)spiro[3,5,6-trihy drobenzo[h]quinazoline-5,1'-cyclopentane]-4-one2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one2-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-3-(2-METHYLPROP-2-EN-1-YL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOPENTAN]-4-ONE
이름 더 보기
Spiro[benzo[h]quinazoline-5(3H),1'-cyclopentan]-4(6H)-one, 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(2-methyl-2-propen-1-yl)-
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 75 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 911
물리화학적 성질
- 끓는 점
- 664 · 664.0±65.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.31 · -2.31±0.20(Predicted)
화학 및 산업
공급사3 곳
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