(5Z)-5-{[3-(4-Isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one
기본 정보
- CAS
623933-20-0- 표준 SMILES
COc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)SC2=S)cc1- InChIKey
UNYUORRXJQRANB-PKAZHMFMSA-N- 분자식
- C30H27N3O3S2
- 평균 분자량
- 541.7 g/mol
- 단동위원소 질량
- 541.14938408
이름 및 식별자
- 우선 이름
- (5Z)-5-{[3-(4-Isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-3-[(4-methoxyphenyl)methyl]-5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
이름 및 동의어
623933-20-0(5Z)-5-{[3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one(5Z)-5-((3-(4-ISOPROPOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-3-(4-METHOXYBENZYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONERefChem:404800645-875-5SALOR-INT L430498-1EAZINC23753125-((3-(4-Isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxybenzyl)-2-thioxothiazolidin-4-oneMFCD03666032STK814569AKOS002195286ZINC000002375312
이름 더 보기
COc1ccc(cc1)CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OC(C)C)c2ccccc2)C1=OCC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)C5=CC=CC=C5(5Z)3((4METHOXYPHENYL)METHYL)5((1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE(5Z)3(4methoxybenzyl)5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one(Z)-5-((3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxybenzyl)-2-thioxothiazolidin-4-one(Z)5((3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3(4methoxybenzyl)2thioxothiazolidin4one5((3(4ISOPROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(4METHOXYBENZYL)2THIOXOTHIAZOLIDIN4ONE
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 846
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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