기본 정보
- CAS
314261-38-6- 표준 SMILES
C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)nc2sc3c(c2c1=O)CCC3- InChIKey
KYOBJFPHRYZYQE-UHFFFAOYSA-N- 분자식
- C27H27N3O2S2
- 평균 분자량
- 489.7 g/mol
이름 및 식별자
- 우선 이름
- 10-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
- IUPAC
- 10-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
- 영어명
- 3-allyl-2-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
- 분자식
- C27H27N3O2S2
- 분자량
- 489.65
이름 및 동의어
314261-38-610-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one3-allyl-2-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-oneOprea1_251068AF-399/15031076AKOS00105353810-[2-[2,5-Dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-oneUPCMLD0ENAT0513-7589:001ST50050818SR-01000477056SR-01000477056-1Z20220992
이름 더 보기
4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-[[2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl]thio]-3,5,6,7-tetrahydro-3-(2-propen-1-yl)-
2-{2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethylthio}-3-prop-2-eny l-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-one
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 840
물리화학적 성질
- 끓는 점
- 694.1 · 694.1±65.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.35 · -2.35±0.20(Predicted)
화학 및 산업
공급사3 곳
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