N-(4-Isopropylphenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide
기본 정보
- CAS
477332-66-4- 표준 SMILES
COc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3sc4c(c3c2=O)CCCC4)cc1- InChIKey
JDMZHWRKILWKFV-UHFFFAOYSA-N- 분자식
- C28H29N3O3S2
- 평균 분자량
- 519.7 g/mol
- 단동위원소 질량
- 519.16503414
이름 및 식별자
- 우선 이름
- N-(4-Isopropylphenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide
- IUPAC
- 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
이름 및 동의어
477332-66-4N-(4-ISOPROPYLPHENYL)-2-{[3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETAMIDEN-(4-Isopropylphenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamideRefChem:827723650-662-5N-(4-Isopropylphenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamideZINC1835459MFCD03223568STK030261ZINC01835459AKOS001050589ZINC000001835459
이름 더 보기
ST50060324Z18579339COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(C)C)nc2c(c1=O)c1CCCCc1s2CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC2((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4(propan2yl)phenyl)acetamide2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4propan2ylphenyl)acetamide2-[3-(4-methoxyphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrim idin-2-ylthio)]-N-[4-(methylethyl)phenyl]acetamideN(4isopropylphenyl)2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 821
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
관련 반응
0건
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